SCHEMBL9687568

SCHEMBL9687568

CCC(C)C(c1cccc(Cl)c1)C(Cl)(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.39
AOC3 Q16853 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
KCNQ2 O43526 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL9687417 0.82 AOC3 (0.41) PNMTAOC3MEN1KMT2AOPRM1
SCHEMBL9688872 0.82 AOC3 (0.37) AOC3KCNQ2SLC6A2SLC6A4ALDH1A1
SCHEMBL25111133 0.79 PNMT (0.43) PNMTAOC3TSHROPRM1OPRD1
SCHEMBL9686794 0.78 CYP3A4 (0.42) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL26239181 0.74 HDAC4 (0.53) PNMTAOC3OPRM1OPRD1OPRK1
SCHEMBL199109 0.74 HDAC4 (0.53) PNMTAOC3OPRM1OPRD1OPRK1
SCHEMBL25819608 0.74 HDAC4 (0.53) PNMTAOC3OPRM1OPRD1OPRK1
SCHEMBL16771227 0.72 ACP3 (0.46) PNMTAOC3LMNATSHRMAPK1
SCHEMBL12735693 0.72 AOC3 (0.45) PNMTAOC3LMNATSHRMAPK1
SCHEMBL14040089 0.72 PNMT (0.43) PNMTAOC3LMNATSHRMAPK1

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
US-5136114-A PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed