SCHEMBL8768488

SCHEMBL8768488

COC(=O)c1cccc(NC(=O)c2cc(C(=O)OC)ccc2O)c1.Cc1c(C(=O)O)ccc(O)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
AURKA O14965 4/20 0.49
AURKB Q96GD4 4/20 0.49
GPR17 Q13304 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
PTPN11 Q06124 1/20 0.45
ANO1 Q5XXA6 1/20 0.45
CREBBP Q92793 1/20 0.44
FADS1 O60427 1/20 0.44

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
SCHEMBL8768482 0.89 RAB9A (0.64) RAB9AAURKAAURKBGPR17SMN1; SMN2
SCHEMBL8420390 0.86 RAB9A (0.67) RAB9AAURKAAURKBGPR17SMN1; SMN2
SCHEMBL14363287 0.81 GPR17 (0.63) RAB9AAURKAAURKBGPR17SMN1; SMN2
SCHEMBL9164932 0.78 RAB9A (0.73) RAB9AGPR17SMN1; SMN2TP53ALDH1A1
SCHEMBL6852686 0.76 RAB9A (0.66) RAB9AGPR17SMN1; SMN2TP53ALDH1A1
SCHEMBL14363410 0.75 RAB9A (0.60) RAB9AGPR17SMN1; SMN2TP53ALDH1A1
SCHEMBL6852748 0.74 RAB9A (0.63) RAB9AGPR17SMN1; SMN2TP53ALDH1A1
SCHEMBL6852938 0.74 RAB9A (0.63) RAB9AGPR17SMN1; SMN2TP53ALDH1A1
SCHEMBL136284 0.73 CA1 (0.67) SMN1; SMN2TP53ALDH1A1HPGDMEN1
SCHEMBL14363294 0.73 NPC1 (0.60) RAB9ASMN1; SMN2TP53ALDH1A1MEN1

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
EP-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 EP disclosed