SCHEMBL28538548

SCHEMBL28538548

COc1ccc(C2(S)CC=CC=C2c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.43
OPRL1 P41146 5/20 0.43
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 2/20 0.35
CA4 P22748 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LTA4H P09960 1/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BACE1 P56817 3/20 0.34
MAPT P10636 2/20 0.34
BACE2 Q9Y5Z0 1/20 0.33
MITF O75030 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
SCHEMBL17825565 0.85 PNMT (0.33) OPRM1OPRL1OPRK1
SCHEMBL28531370 0.81 NPY5R (0.36) OPRM1OPRL1OPRD1OPRK1
SCHEMBL28527751 0.81 OPRM1 (0.43) OPRM1OPRL1OPRD1OPRK1ALDH1A1
SCHEMBL28527691 0.78 OPRM1 (0.36) OPRM1OPRL1OPRD1OPRK1
SCHEMBL30721710 0.75 APP (0.35) OPRM1OPRL1OPRD1OPRK1ALDH1A1
SCHEMBL28389806 0.75 OPRM1 (0.37) OPRM1OPRL1ALDH1A1LMNACA4
SCHEMBL28959600 0.71 TRPA1 (0.45) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL6984233 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6269405 0.69 KDM4E (0.30) KDM4EHTTHSD17B10
SCHEMBL28945459 0.68

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-112513051-B Compound and color conversion film comprising the same 株式会社LG化学 2023-12-26 CN disclosed
CN-112513051-A Compound and color conversion film comprising same 株式会社LG化学 2021-03-16 CN disclosed