SCHEMBL4367809

SCHEMBL4367809

CCC(CC)Cn1c(C(=O)O)cc2cc(C)ccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.47
CCR2 P41597 8/20 0.44
CCR9 P51686 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
THRB P10828 1/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
ABCB11 O95342 1/20 0.39

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
SCHEMBL27718204 0.86 GPR35 (0.49) GPR35CCR2CCR9MEN1KMT2A
SCHEMBL9613337 0.84 GPR35 (0.62) GPR35CCR2CCR9MEN1KMT2A
SCHEMBL13802535 0.81 PLA2G4A (0.51) GPR35CCR2CCR9MEN1KMT2A
SCHEMBL28156828 0.79 GPR35 (0.43) GPR35CCR2CCR9MEN1KMT2A
SCHEMBL4370468 0.79 ALDH1A1 (0.50) GPR35CCR2CCR9MEN1KMT2A
SCHEMBL4363318 0.78 PLA2G4A (0.52) GPR35CCR2CCR9MEN1KMT2A
SCHEMBL4361805 0.77 PLA2G4A (0.53) GPR35CCR2MEN1KMT2AL3MBTL1
SCHEMBL9613229 0.76 GPR35 (0.48) GPR35CCR2CCR9MEN1KMT2A
SCHEMBL9613230 0.76 GPR35 (0.48) GPR35CCR2CCR9MEN1KMT2A
SCHEMBL12921290 0.75 GPR35 (0.47) GPR35CCR2CCR9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009063495-A2 SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2009-05-22 WO claimed
WO-2009063495-A2 SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2009-05-22 WO disclosed