SCHEMBL9688924

SCHEMBL9688924

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

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.30
MIF P14174 1/20 0.30
HTR2A P28223 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 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
SCHEMBL9248072 0.79 ACHE (0.41)
SCHEMBL9687417 0.79 AOC3 (0.41) ADRB1
SCHEMBL9687872 0.78 AOC3 (0.41)
SCHEMBL9686706 0.78 IDO1 (0.39)
SCHEMBL9688011 0.78 ADRB1 (0.53) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL8097006 0.76 TAAR1 (0.40) HTR2AADRA1A
SCHEMBL458729 0.73 HDAC4 (0.47)
SCHEMBL9688584 0.73 PTGS1 (0.54)
SCHEMBL13626474 0.72 ADRA1A (0.46) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL9687913 0.71 CYP3A4 (0.45)

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