SCHEMBL6567956

SCHEMBL6567956

N#Cc1ccccc1OC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 3/20 0.58
SLC6A3 Q01959 1/20 0.51
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
JAK2 O60674 1/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 2/20 0.46
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TOP1 P11387 1/20 0.46
F2 P00734 1/20 0.45
LPAR1 Q92633 1/20 0.45

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
SCHEMBL11443998 0.92 SLC6A3 (0.60) KMT2ASMN1; SMN2MAPTSLC6A3ESR1
SCHEMBL8917839 0.90 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MAPTSLC6A3ESR1
SCHEMBL10500194 0.85 KMT2A (0.50) KMT2ASMN1; SMN2MAPTSLC6A3ESR1
SCHEMBL11514420 0.84 NPC1 (0.65) KMT2ASMN1; SMN2MAPTSLC6A3ESR1
SCHEMBL6969932 0.84 KMT2A (0.59) KMT2ASMN1; SMN2MAPTSLC6A3ESR1
SCHEMBL1697190 0.83 SMN1; SMN2 (0.47) SMN1; SMN2GAANPSR1LPAR1LPAR5
SCHEMBL28794462 0.82 ESR1 (0.61) KMT2ASMN1; SMN2MAPTSLC6A3ESR1
SCHEMBL9480342 0.81 LMNA (0.46) KMT2ASMN1; SMN2MAPTSLC6A3ESR1
SCHEMBL26111795 0.81 NPC1 (0.39) KMT2ASMN1; SMN2MAPTSLC6A3GAA
SCHEMBL124189 0.81 SMN1; SMN2 (0.49) SMN1; SMN2GAANPSR1MAPK14NPC1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103030631-A Compound for preparing pyrimidinedione DPP-IV (dipeptidyl peptidase IV) inhibitors JIANGSU CHIA TAI TIANQING PHAR 2013-04-10 CN claimed
JP-54085191-A None JP disclosed
JP-54083694-A None JP disclosed
JP-53003979-A None JP disclosed
CN-103030631-B Compound for preparing pyrimidinedione DPP-IV (dipeptidyl peptidase IV) inhibitors CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD 2014-12-10 CN disclosed
CN-103030631-A Compound for preparing pyrimidinedione DPP-IV (dipeptidyl peptidase IV) inhibitors JIANGSU CHIA TAI TIANQING PHAR 2013-04-10 CN disclosed
CN-1176898-C Fluoro 4-alkene-benzoic acid and its derivative, nematic liquid crystal composition and liquid crystal display using this composition 大日本油墨化学工业株式会社 2004-11-24 CN disclosed
EP-0919536-B1 Fluorine-substituted 4-alkenylbenzoic acid and derivatives thereof, and nematic liquid crystal composition containing cyanophenyl benzoate derivatives and liquid crystal display system using the same DAINIPPON INK & CHEMICALS (JP) 2004-04-07 EP disclosed
EP-0919536-B1 Fluorine-substituted 4-alkenylbenzoic acid and derivatives thereof, and nematic liquid crystal composition containing cyanophenyl benzoate derivatives and liquid crystal display system using the same DAINIPPON INK & CHEMICALS (JP) 2004-04-07 EP disclosed
US-6693223-B1 STRONG POLAR COMPOUND HAVING LARGE DIELECTRIC ANISOTROPY; EXERTS EXCELLENT THRESHOLD VOLTAGE REDUCING EFFECT; EXCELLENT MISCIBILITY WITH CONVENTIONAL LIQUID CRYSTAL MATERIALS DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-02-17 US disclosed
US-5073294-A Liquid crystal polymers HERCULES INCORPORATED (US) 1991-12-17 US disclosed
EP-0445629-A2 Process of preparing liquid crystal compositions containing multiple oriented mesogens HERCULES INCORPORATED (US) 1991-09-11 EP disclosed
EP-0395006-A2 Display composition, coloring pigment, and recording material SONY CORPORATION (JP) 1990-10-31 EP disclosed
US-4957352-A Electrochromic display device SONY CORPORATION (JP) 1990-09-18 US disclosed
EP-0301513-A2 Electrochromic display SONY CORPORATION (JP) 1989-02-01 EP disclosed
JP-S5485191-A LIQUID CRYSTAL COMPOSITION SHARP CORP 1979-07-06 JP disclosed
JP-S5483694-A NEMATIC LIQUID CRYSTAL BODY FOR DISPLAY DEVICE HITACHI LTD 1979-07-03 JP disclosed
US-4082428-A AROMATIC ESTERS SUNCRUX INCORPORATED (US) 1978-04-04 US disclosed
US-4082428-A AROMATIC ESTERS SUNCRUX INCORPORATED (US) 1978-04-04 US disclosed
JP-S533979-A LIQUID CRYSTAL COMPOSITION DAINIPPON TORYO CO LTD 1978-01-14 JP disclosed