SCHEMBL6349136

SCHEMBL6349136

Oc1cc2cccc(F)c2cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.47
HSD17B2 P37059 4/20 0.47
DAO P14920 2/20 0.47
DDO Q99489 2/20 0.47
TRPM4 Q8TD43 1/20 0.46
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
PLAU P00749 1/20 0.41
NQO2 P16083 1/20 0.40
CYP1A2 P05177 1/20 0.39
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
INPPL1 O15357 1/20 0.38

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
SCHEMBL31257785 0.83 ALDH1A1 (0.43) HSD17B1HSD17B2DAODDOCYP1A2
SCHEMBL27656034 0.83 HSD17B1 (0.53) HSD17B1HSD17B2DAODDOTRPM4
SCHEMBL3671771 0.80 CYP1A2 (0.40) HSD17B1HSD17B2DAODDOCYP1A2
SCHEMBL5722785 0.78 HPRT1 (0.41) HSD17B1HSD17B2DAODDOCYP1A2
SCHEMBL7793914 0.78 GRIN2D (0.61) HSD17B1HSD17B2TRPM4GRIN2DGRIN2A
SCHEMBL2710690 0.77 HSD17B1 (0.39) HSD17B1HSD17B2DAODDOTRPM4
SCHEMBL5179135 0.76 ALDH1A1 (0.45) HSD17B1HSD17B2CYP1A2KDM4EL3MBTL1
SCHEMBL21730006 0.76 TRPM4 (0.50) HSD17B1HSD17B2TRPM4GRIN2DGRIN2A
SCHEMBL4542359 0.76 KDM4E (0.57) HSD17B1HSD17B2CYP1A2ESR1ESR2
SCHEMBL30887779 0.76 HSD17B1 (0.53) HSD17B1HSD17B2NQO2CYP1A2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878659-B2 Solid catalyst component for olefin polymerization and catalyst TOHO TITANIUM CO., LTD. (JP) 2005-04-12 US disclosed
US-20040072681-A1 Solid catalyst component for olefin polymerization and catalyst TOHO TITANIUM CO., LTD. (JP) 2004-04-15 US disclosed
EP-1260524-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST Toho Titanium Co., Ltd. (JP) 2002-11-27 EP disclosed