SCHEMBL28191790

SCHEMBL28191790

COc1ccc(C(N)(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(N)=O)cc2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ FABP5 Q01469 1/20 0.39
▸ ACACA Q13085 1/20 0.37
▸ KMT2A Q03164 6/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ TSHR P16473 3/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ HPGD P15428 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL8752790 0.93 NPC1 (0.41) NPC1RAB9AFABP5KMT2AMEN1
SCHEMBL28069714 0.90 FABP5 (0.45) NPC1RAB9AFABP5KMT2AMEN1
SCHEMBL3485726 0.89 FABP5 (0.41) NPC1RAB9AFABP5KMT2AMEN1
SCHEMBL6298097 0.86 FABP5 (0.41) FABP5KMT2AMEN1TSHRGPR55
SCHEMBL29521535 0.85 MEN1 (0.49) NPC1RAB9AKMT2AMEN1TSHR
SCHEMBL30679137 0.85 NPC1 (0.44) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL31013146 0.84 KMT2A (0.34) NPC1RAB9AFABP5KMT2AMEN1
SCHEMBL27082137 0.84 NPC1 (0.40) NPC1RAB9AFABP5KMT2AMEN1
SCHEMBL29385536 0.83 KMT2A (0.43) NPC1RAB9AFABP5KMT2AMEN1
SCHEMBL20973955 0.82 NPC1 (0.40) NPC1RAB9AFABP5KMT2AMEN1

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
CN-114031680-A Somalulet sodium salt and preparation method and application thereof 浙江湃肽生物有限公司 2022-02-11 — — CN disclosed
CN-107440928-A Cosmetic composition for improving scalp health and method for producing the same 奥利博思高适美秀迪科思 2017-12-08 — — CN disclosed
Send feedback