SCHEMBL28069714

SCHEMBL28069714

COc1ccc(C(N)(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 2/20 0.45
▸ KMT2A Q03164 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ HTT P42858 1/20 0.37
▸ FABP7 O15540 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ LPAR1 Q92633 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ MDM4 O15151 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL3485726 0.93 FABP5 (0.41) FABP5KMT2ATSHRMEN1GPR55
SCHEMBL6298097 0.92 FABP5 (0.41) FABP5KMT2ATSHRMEN1GPR55
SCHEMBL8752790 0.92 NPC1 (0.41) FABP5KMT2ATSHRMEN1GPR55
SCHEMBL28191790 0.90 NPC1 (0.39) FABP5KMT2ATSHRMEN1GPR55
SCHEMBL29521535 0.83 MEN1 (0.49) KMT2ATSHRMEN1GPR55HTT
SCHEMBL27082137 0.83 NPC1 (0.40) FABP5KMT2ATSHRMEN1GPR55
SCHEMBL7867953 0.82 FABP5 (0.39) FABP5KMT2AFABP7KIF11MDM4
SCHEMBL30679137 0.82 NPC1 (0.44) KMT2AMEN1HTTMAPTRAB9A
SCHEMBL29385536 0.82 KMT2A (0.43) FABP5KMT2ATSHRMEN1GPR55
SCHEMBL31013146 0.81 KMT2A (0.34) FABP5KMT2ATSHRMEN1GPR55

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
CN-103003301-B Serum albumin binding molecules 百时美施贵宝公司 2016-09-21 — — CN disclosed
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