SCHEMBL28495176

SCHEMBL28495176

CCC(O)C1(c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
OPRM1 P35372 10/20 0.41
OPRL1 P41146 8/20 0.41
OPRK1 P41145 6/20 0.41
OPRD1 P41143 4/20 0.41
AOC3 Q16853 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP2D6 P10635 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SLC6A2 P23975 1/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL8234087 0.91 SLC6A4 (0.46) OPRM1OPRL1OPRK1OPRD1SLC6A4
SCHEMBL9384128 0.86 OPRM1 (0.48) LMNAOPRM1OPRL1OPRK1OPRD1
SCHEMBL13849911 0.85 OPRM1 (0.44) LMNAOPRM1OPRL1OPRK1OPRD1
SCHEMBL14402615 0.85 OPRM1 (0.44) LMNAOPRM1OPRL1OPRK1OPRD1
SCHEMBL3377292 0.83 LMNA (0.38) LMNAOPRM1OPRL1OPRK1OPRD1
SCHEMBL28400428 0.81 SLC6A4 (0.37) LMNAOPRM1OPRL1OPRK1OPRD1
SCHEMBL20876291 0.77 CYP2D6 (0.42) OPRM1OPRL1OPRK1OPRD1CYP2D6
SCHEMBL13307869 0.76 CYP2C19 (0.40) LMNAMAOAMAOBTAAR1DPP4
SCHEMBL2438892 0.76 CYP2C19 (0.40) LMNAMAOAMAOBTAAR1DPP4
SCHEMBL4576233 0.72 CYP2D6 (0.45) OPRM1OPRL1OPRK1OPRD1MAOA

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-110256314-B Preparation method of beta-aryl ketone compound and product thereof 南京林业大学 2020-12-15 CN disclosed