SCHEMBL8768482

SCHEMBL8768482

COC(=O)c1ccc(O)c(C(=O)O)c1.COC(=O)c1cccc(NC(=O)c2cc(C(=O)OC)ccc2O)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.55
TP53 P04637 1/20 0.55
AURKA O14965 2/20 0.55
AURKB Q96GD4 2/20 0.55
HTT P42858 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 3/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 2/20 0.53
SIRT6 Q8N6T7 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
HPGD P15428 1/20 0.53
GPR17 Q13304 1/20 0.52
PTPN11 Q06124 1/20 0.52
FADS1 O60427 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL8420390 0.95 RAB9A (0.67) RAB9ASMN1; SMN2TP53AURKAAURKB
SCHEMBL8768488 0.89 RAB9A (0.54) RAB9ASMN1; SMN2TP53AURKAAURKB
SCHEMBL14363287 0.86 GPR17 (0.63) RAB9ASMN1; SMN2TP53AURKAAURKB
SCHEMBL9164932 0.85 RAB9A (0.73) RAB9ASMN1; SMN2TP53HTTMEN1
SCHEMBL136284 0.83 CA1 (0.67) SMN1; SMN2TP53HTTMEN1KMT2A
SCHEMBL6852686 0.81 RAB9A (0.66) RAB9ASMN1; SMN2TP53HTTMEN1
SCHEMBL23796591 0.79 KMT2A (0.60) RAB9ASMN1; SMN2HTTMEN1KMT2A
SCHEMBL677770 0.79 RAB9A (1.00) RAB9ASMN1; SMN2TP53HTTMEN1
SCHEMBL6852748 0.79 RAB9A (0.63) RAB9ASMN1; SMN2TP53HTTMEN1
SCHEMBL6852938 0.79 RAB9A (0.63) RAB9ASMN1; SMN2TP53HTTMEN1

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