SCHEMBL11470974

SCHEMBL11470974

CC(Nc1ccc(C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.47
LDHA P00338 1/20 0.47
LDHB P07195 1/20 0.47
SRD5A2 P31213 1/20 0.44
KDM4E B2RXH2 1/20 0.44
DAPK3 O43293 1/20 0.44
ROCK2 O75116 1/20 0.44
CHEK2 O96017 1/20 0.44
PIM1 P11309 1/20 0.44
PLK1 P53350 1/20 0.44
ROCK1 Q13464 1/20 0.44
CDC42BPA Q5VT25 1/20 0.44
AURKB Q96GD4 1/20 0.44
PLK3 Q9H4B4 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL11472667 0.87 TDP1 (0.41) RCE1LDHALDHBKDM4ENPC1
SCHEMBL11153688 0.85 PGR (0.44) LDHALDHBDAPK3ROCK2CHEK2
SCHEMBL3343884 0.85 DAPK3 (0.50) DAPK3ROCK2CHEK2PIM1PLK1
Hydrochloric Acid SCHEMBL11155377 0.83 DAPK3 (0.40) LDHALDHBDAPK3ROCK2CHEK2
SCHEMBL11153637 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HPGDEPHX1
SCHEMBL11155671 0.81 USP5 (0.50) RAB9ASMN1; SMN2
SCHEMBL11156920 0.81 NPC1 (0.40) LDHALDHBDAPK3ROCK2CHEK2
SCHEMBL11155037 0.80 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HPGDEPHX1
SCHEMBL11462135 0.80 PGR (0.47) RCE1SRD5A2NPC1RAB9AEPHX1
Benzene SCHEMBL11502999 0.79 EPHX2 (0.38) RCE1LDHALDHBDAPK3ROCK2

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-4227014-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1980-10-07 US claimed