SCHEMBL4448099

SCHEMBL4448099

O=C(c1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.45
NR4A1 P22736 1/20 0.45
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
MAPK1 P28482 1/20 0.43
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 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
SCHEMBL7788591 0.75 AKR1C3 (0.42) SRD5A2NR4A1MAPK1MAPTKMT2A
SCHEMBL7792236 0.75 CNR2 (0.51) SRD5A2NR4A1CES2CES1MAPK1
SCHEMBL15436591 0.73 CES2 (0.44) CES2CES1MAPK1RAB9AMAPT
SCHEMBL11704979 0.73 NR4A1 (0.52) SRD5A2NR4A1CES2CES1MAPK1
SCHEMBL13321636 0.72 FLT1 (0.51) SRD5A2RAB9AMAPTKMT2APOLB
SCHEMBL250228 0.71 MMP2 (0.50) SRD5A2MAPK1KMT2AMEN1HPGD
SCHEMBL14052477 0.71 FLT1 (0.50) SRD5A2RAB9AMAPTKMT2APOLB
SCHEMBL9496067 0.71 SRD5A2 (0.79) SRD5A2NR4A1MAPK1RAB9AMAPT
SCHEMBL7466437 0.71 ALDH1A1 (0.61) SRD5A2NR4A1CES2CES1MAPK1
SCHEMBL29466934 0.70 RAB9A (0.53) SRD5A2NR4A1CES2CES1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090269645-A1 POLYMER, POLYMER ELECTROLYTE AND FUEL CELL USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-29 US disclosed