SCHEMBL7288692

SCHEMBL7288692

CCCOc1cc(OC)ccc1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.54
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CLK1 P49759 1/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4307363 0.94 HDAC3 (0.57) PLA2G2AMTNR1AMTNR1BHDAC3HDAC1
SCHEMBL28519834 0.92 TDP1 (0.51) PLA2G2AMTNR1AMTNR1BTDP1KMT2A
SCHEMBL4304885 0.91 HDAC3 (0.54) PLA2G2AMTNR1AMTNR1BHDAC3HDAC1
SCHEMBL8902098 0.89 THRA (0.53) PLA2G2AHDAC3HDAC1HDAC2TDP1
SCHEMBL27009292 0.87 TDP1 (0.64) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL4057376 0.86 KDM4E (0.50) TDP1KMT2AMEN1KDM4ECYP1A2
SCHEMBL7290141 0.86 KDM4E (0.51) PLA2G2AMTNR1AMTNR1BHDAC3HDAC1
SCHEMBL16482859 0.86 MAOA (0.54) PLA2G2AHDAC3HDAC1HDAC2TDP1
SCHEMBL11353074 0.84 MTNR1A (0.49) PLA2G2AMTNR1AMTNR1BHDAC3HDAC1
SCHEMBL7951260 0.84 PARP15 (0.51) MTNR1AMTNR1BHDAC3HDAC1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240019746-A1 ULTRA-HIGH-POLARITY CHIRAL LIQUID CRYSTAL MATERIAL, LIQUID CRYSTAL LASER AND PREPARATION METHOD THEREFOR SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) 2024-01-18 US disclosed
US-20240019746-A1 ULTRA-HIGH-POLARITY CHIRAL LIQUID CRYSTAL MATERIAL, LIQUID CRYSTAL LASER AND PREPARATION METHOD THEREFOR SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) 2024-01-18 US disclosed
CN-112322306-B Ultrahigh-polarity chiral liquid crystal material, liquid crystal laser and preparation method thereof 华南理工大学 2022-05-24 CN disclosed
WO-2022089501-A1 ULTRA-HIGH-POLARITY CHIRAL LIQUID CRYSTAL MATERIAL, LIQUID CRYSTAL LASER AND PREPARATION METHOD THEREFOR 华南理工大学 2022-05-05 WO disclosed
CN-112375168-B Side chain rod-shaped polar liquid crystal polymer, preparation method thereof and application thereof in nonlinear optical field 华南理工大学 2022-03-29 CN disclosed
CN-112375168-A Side chain rod-shaped polar liquid crystal polymer, preparation method thereof and application thereof in nonlinear optical field 华南理工大学 2021-02-19 CN disclosed
CN-112342032-A Rod-like polar liquid crystal molecule, preparation method thereof and rod-like polar nematic liquid crystal 华南理工大学 2021-02-09 CN disclosed
CN-112322306-A Ultrahigh-polarity chiral liquid crystal material, liquid crystal laser and preparation method thereof 华南理工大学 2021-02-05 CN disclosed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
US-5597841-A 2-saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP, INC. (US) 1997-01-28 US disclosed
EP-0594257-B1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC (US) 1996-07-10 EP disclosed
US-5512589-A TREATING DEGENERATIVE DISEASES STERLING WINTHROP INC. (US) 1996-04-30 US disclosed
EP-0352960-B1 Purine compounds, process for their preparation and pharmaceutical compositions SMITH KLINE FRENCH LAB (GB) 1994-10-26 EP disclosed
EP-0594257-A1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1994-04-27 EP disclosed
US-5306818-A Treating degenerative diseases such as emphysema, rheumatoid arthritis and pancreatitis STERLING WINTHROP INC. (US) 1994-04-26 US disclosed
US-5073559-A 2-Substituted purinone having phosphodiesterase inhibitory activity SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-12-17 US disclosed
EP-0352960-A2 Purine compounds, process for their preparation and pharmaceutical compositions SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-31 EP disclosed
US-4764525-A N-1H-tetrazol-5-ylbenzamides having use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-16 US disclosed