SCHEMBL11119802

SCHEMBL11119802

OC(CCc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.47
TAAR1 Q96RJ0 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
ADRB2 P07550 1/20 0.44
ALOX15 P16050 2/20 0.42
CYP51A1 Q16850 1/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR3E A5X5Y0 1/20 0.41

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
SCHEMBL30849662 0.91 CNR2 (0.48) AOC3MEN1KMT2AGAAADRB2
SCHEMBL30849673 0.90 PPARG (0.51) MEN1KMT2AADRB2CYP3A4PPARG
SCHEMBL30849665 0.90 PPARG (0.50) AOC3MEN1KMT2AGAAPPARG
SCHEMBL3070798 0.90 PPARG (0.50) AOC3MEN1KMT2AGAAPPARG
SCHEMBL19922926 0.87 ALOX15 (0.53) MEN1KMT2AGAAALOX15TSHR
SCHEMBL28308319 0.87 AOC3 (0.41) AOC3TAAR1MEN1KMT2AGAA
SCHEMBL9460441 0.83 MEN1 (0.49) AOC3TAAR1MEN1KMT2AGAA
SCHEMBL14839523 0.83 ADRB2 (0.51) MEN1KMT2AADRB2PPARGPPARA
SCHEMBL2964767 0.81 ADRB2 (0.62) TAAR1ADRB2ALOX15TSHRNFKB1
SCHEMBL8113426 0.80 AOC3 (0.52) AOC3GAATP53TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028305-B1 DIARYL COMPOUNDS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1984-02-01 EP disclosed
EP-0028305-A1 Diaryl compounds and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1981-05-13 EP disclosed