SCHEMBL6901141

SCHEMBL6901141

O=C(O)c1ccc2c(c1)Cc1ccc(C(=O)O)cc1C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.66
ALDH1A1 P00352 3/20 0.63
MAPT P10636 5/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SRD5A1 P18405 3/20 0.50
TSHR P16473 2/20 0.50
TDP2 O95551 1/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 4/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 2/20 0.49
BLM P54132 1/20 0.49
GRM1 Q13255 1/20 0.49
MEN1 O00255 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
CD69 Q07108 1/20 0.48
CA12 O43570 2/20 0.48

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
Hydrochloric Acid SCHEMBL8922281 0.98 SRD5A2 (0.63) SRD5A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL6907637 0.94 SRD5A2 (0.76) SRD5A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL27506 0.88 SRD5A2 (0.81) SRD5A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL31456551 0.88 SRD5A2 (0.81) SRD5A2ALDH1A1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL9789481 0.86 SRD5A2 (0.79) SRD5A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL8921005 0.85 KDM4E (0.53) SRD5A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL12213072 0.85 ALDH1A1 (0.55) SRD5A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL17978203 0.84 ALDH1A1 (0.61) SRD5A2ALDH1A1SRD5A1HSD17B1
SCHEMBL12213074 0.84 ALDH1A1 (0.53) SRD5A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL16130136 0.83 SRD5A2 (0.68) SRD5A2ALDH1A1MAPTNPC1RAB9A

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-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed
US-5670493-A ANGIOGENESIS INHIBITORS ADIR ET COMPAGNIE (FR) 1997-09-23 US disclosed