SCHEMBL6200667

SCHEMBL6200667

O=C(CC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
MGAM O43451 1/20 0.58
GAA P10253 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
L3MBTL1 Q9Y468 5/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 3/20 0.58
KDM4E B2RXH2 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KMT2A Q03164 4/20 0.56
HPGD P15428 3/20 0.56
MAPK1 P28482 3/20 0.56
MEN1 O00255 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
CYP3A4 P08684 2/20 0.56
ALOX15 P16050 1/20 0.56
CES1 P23141 1/20 0.56

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
SCHEMBL27895847 0.89 MGAM (0.62) TSHRMGAMGAASIMGAM2
SCHEMBL369594 0.86 ALDH1A1 (0.61) TSHRMGAMGAASIMGAM2
SCHEMBL9066674 0.84 ATM (0.74) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL16178566 0.84 NPC1 (0.53) TSHRMGAMGAASIMGAM2
SCHEMBL6201030 0.83 HPGD (0.57) TSHRMGAMGAASIMGAM2
SCHEMBL7050949 0.83 TSHR (0.59) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL3077522 0.83 TSHR (0.59) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL2397228 0.82 L3MBTL1 (0.69) MGAMGAASIMGAM2L3MBTL1
SCHEMBL7757013 0.81 TSHR (0.57) TSHRMGAMGAASIMGAM2
SCHEMBL22950630 0.81 TSHR (0.57) TSHRMGAMGAASIMGAM2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210115276-A1 Radiation curable Gravure Ink CHANGZHOU GREEN PHOTOSENSITIVE MAT CO LTD (CN) 2021-04-22 US disclosed
WO-2019179461-A1 RADIATION CURABLE COMPOSITION CONTAINING MODIFIED PIGMENT AND USE THEREOF 常州格林感光新材料有限公司 2019-09-26 WO disclosed
CN-105001066-B The method that the substitution reaction of catalysis of iodine β keto-acid decarboxylases synthesizes α alkyl ketones 齐齐哈尔大学 2018-03-30 CN disclosed
CN-105001066-A Synthetic method of alpha-alkyl ketone by iodine catalyzed beta-keto acid decarboxylation substitution reaction UNIV QIQIHAR 2015-10-28 CN disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
US-4140770-A Benzoylethers and processes for their production A. NATTERMANN & CIE. GMBH (DE) 1979-02-20 US disclosed
US-3984438-A INSECTICIDES AND FIRE RETARDANTS HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1976-10-05 US disclosed