SCHEMBL9687417

SCHEMBL9687417

CC(C)C(c1cccc(Cl)c1)C(Cl)(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
PNMT P11086 1/20 0.39
ACP3 P15309 1/20 0.39
PDE1B Q01064 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRK1 P41145 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRL1 P41146 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ADRA1D P25100 1/20 0.35
SLC2A1 P11166 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 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
SCHEMBL9687568 0.82 PNMT (0.39) AOC3PNMTACP3MEN1KMT2A
SCHEMBL9248072 0.81 ACHE (0.41) AOC3ACP3MEN1KMT2AALDH1A1
SCHEMBL10442439 0.79 AOC3 (0.46) AOC3PNMTACP3OPRK1OPRM1
SCHEMBL9688011 0.79 ADRB1 (0.53) OPRK1OPRM1ADRB2ADRB1ADRB3
SCHEMBL9686706 0.79 IDO1 (0.39) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL9688924 0.79 ADRB1 (0.30) ADRB1
SCHEMBL9687872 0.79 AOC3 (0.41) AOC3SLC6A2SLC6A4
SCHEMBL8097006 0.77 TAAR1 (0.40) AOC3MEN1KMT2ASLC6A4CYP2C19
SCHEMBL11540939 0.76 PNMT (0.46) AOC3PNMTACP3MEN1KMT2A
SCHEMBL18682090 0.76 PNMT (0.46) AOC3PNMTACP3MEN1KMT2A

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