SCHEMBL6629135

SCHEMBL6629135

O=Cc1cccc2cccc(C(=O)c3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 5/20 0.41
ATM Q13315 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
CDC25B P30305 1/20 0.39
CYP2A6 P11509 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL29563927 0.82 HSD17B10 (0.60) MAPTALDH1A1TDP1L3MBTL1HSD17B10
SCHEMBL1688876 0.82 HSD17B10 (0.60) MAPTALDH1A1TDP1L3MBTL1HSD17B10
SCHEMBL1004343 0.82 AKR1C3 (0.57) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL9774817 0.81 AKR1C3 (0.52) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL7606293 0.79 AKR1C3 (0.50) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL17179986 0.79 ERN1 (0.50) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL2997751 0.77 MAOA (0.54) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL3293879 0.77 ALDH1A1 (0.44) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL7598992 0.77 HSD17B10 (0.46) ALDH1A1TDP1L3MBTL1HSD17B10KDM4E
SCHEMBL21278367 0.77 PLK1 (0.53) GAAALDH1A1HSD17B10KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033130-B1 INHIBITOR OF UROKINASE PRODUCTION AND OF ANGIOGENESIS AND ITS THERAPEUTIC USE TAIHO PHARMACEUTICAL CO LTD (JP) 2004-04-21 EP disclosed
US-6365610-B1 1,4-EPOXY-2,3-BENZODIOXEPINS OR 1,4-EPOXY-3,2-BENZOXAZEPINES TAIHO PHARMACEUTICAL COMPANY LTD. (JP) 2002-04-02 US disclosed
EP-1033130-A1 UROKINASE PRODUCTION INHIBITORS, ANGIOGENESIS INHIBITORS AND METHODS OF PREVENTION OR TREATMENT WITH BOTH TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 2000-09-06 EP disclosed
US-4477684-A 11-Deoxy-11α-alkyl-PGE compounds from PGA compounds by lithium alkylation THE UPJOHN COMPANY (US) 1984-10-16 US disclosed