SCHEMBL28634495

SCHEMBL28634495

C1=CCC(c2ccccc2)(c2ccccc2)C(c2ccccc2)=C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
PNMT P11086 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HDAC4 P56524 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
NPY5R Q15761 1/20 0.30

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
Biphenyl SCHEMBL28511221 0.98 ALDH1A1 (0.33) OPRM1OPRK1OPRL1PNMTMAOA
SCHEMBL4329276 0.81 MAOA (0.45) MAOAMAOBTAAR1MEN1CYP2C9
SCHEMBL7174117 0.79 SMN1; SMN2 (0.34) KMT2A
SCHEMBL17825565 0.78 PNMT (0.33) OPRM1OPRK1OPRL1PNMT
SCHEMBL31442063 0.78 PNMT (0.37) OPRM1PNMTMAOAMAOBTAAR1
SCHEMBL9704268 0.78 HDAC1 (0.34) OPRM1OPRK1OPRL1HDAC4
SCHEMBL1990517 0.74 SMN1; SMN2 (0.32)
SCHEMBL365627 0.74 ESR1 (0.32)
SCHEMBL734441 0.74 PNMT (0.32) PNMTMAOAMAOB
SCHEMBL6984233 0.74 ALDH1A1 (0.31)

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-113383610-A Light-emitting element and display device 索尼集团公司 2021-09-10 CN disclosed