SCHEMBL28798253

SCHEMBL28798253

CC(C)CCCc1cccc(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
MAOA P21397 5/20 0.41
MAOB P27338 5/20 0.41
ALDH1A1 P00352 3/20 0.39
OPRM1 P35372 4/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 4/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FDFT1 P37268 1/20 0.36
UNG P13051 1/20 0.36
GRIN3B O60391 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
SCHEMBL17103311 0.90 MAOA (0.42) MAOAMAOBALDH1A1OPRM1OPRD1
SCHEMBL5033491 0.83 TP53 (0.43) GRIN2DGRIN2AGRIN2BGRIN2CALDH1A1
SCHEMBL21427944 0.81 CDK1 (0.40) MAOAMAOBHIF1AEPAS1UNG
SCHEMBL3032724 0.81 HDAC4 (0.47) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL5725314 0.80 MAOA (0.38) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL7309343 0.80 SIGMAR1 (0.43) OPRM1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7292054 0.79 LPL (0.51) TDP1
SCHEMBL4088525 0.79 TYR (0.45) GRIN2DGRIN2AGRIN2BGRIN2CALDH1A1
SCHEMBL30138671 0.79 MAOA (0.45) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL4681720 0.79 MAOA (0.45) MAOAMAOBALDH1A1NPC1RAB9A

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-114787294-A Coating composition capable of realizing post-curing thermoforming and plastic product using same 株式会社东进世美肯 2022-07-22 CN disclosed