SCHEMBL9302376

SCHEMBL9302376

CC(C)c1[c]c(-c2ccc(F)cc2)c2c(-c3c(C(C)C)nc4ccc(Cl)cc4c3-c3ccccc3)cccc2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.46
FABP5 Q01469 5/20 0.46
FABP3 P05413 4/20 0.46
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
DHODH Q02127 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
CSF1R P07333 1/20 0.32
PLA2G2A P14555 1/20 0.31

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
SCHEMBL9301099 0.74 FABP3 (0.48) FABP4FABP5FABP3CYP2C9KDM4E
SCHEMBL9302519 0.70 ADORA2A (0.43) KDM4ESMN1; SMN2MAPTHTT
SCHEMBL8956235 0.67 DHODH (0.49) FABP4FABP5FABP3CYP2C9KDM4E
SCHEMBL9302391 0.65 APP (0.42) KDM4ELMNASMN1; SMN2MAPTDHODH
SCHEMBL8956575 0.65 DHODH (0.58) FABP4FABP3KDM4ELMNASMN1; SMN2
SCHEMBL8956069 0.64 LMNA (0.51) FABP4FABP5FABP3KDM4ELMNA
SCHEMBL8703691 0.64 ACP1 (0.41) LMNASMN1; SMN2MAPTDHODHHTT
SCHEMBL14917093 0.64 FABP4 (1.00) FABP4FABP5FABP3CYP2C9KDM4E
SCHEMBL8956209 0.63 LMNA (0.56) FABP4FABP3CYP2C9KDM4ELMNA
SCHEMBL14544897 0.61 GCGR (0.44) SMN1; SMN2MAPT

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-5369109-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-11-29 US disclosed