SCHEMBL11852010

SCHEMBL11852010

OCC(Cc1ccccc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.47
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
GRIN2B Q13224 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
TRPA1 O75762 1/20 0.40
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL10832945 0.91 CYP19A1 (0.44) PPARAIDO1TDO2
SCHEMBL11848999 0.90 PPARA (0.43) PPARAMEN1KMT2A
SCHEMBL11851774 0.90 LMNA (0.42) LMNATP53HTT
SCHEMBL11856958 0.84 ATM (0.45) PPARAIDO1TDO2GRIN2BLMNA
SCHEMBL11853610 0.84 HCRTR2 (0.43) PPARAIDO1LMNATP53HTT
SCHEMBL11857854 0.84 TRPA1 (0.42) PPARAIDO1GRIN2BLMNATP53
SCHEMBL11854875 0.83 PPARG (0.40) PPARAIDO1TDO2LMNATP53
SCHEMBL8395600 0.82 TP53 (0.50) LMNATP53HTTHSD17B10
SCHEMBL11855888 0.81 IDO1 (0.45) IDO1HTTMEN1KMT2A
SCHEMBL11855715 0.81 LMNA (0.40) IDO1LMNATP53HTTMEN1

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-3991201-A 1-(β-Aryl-β-R-ethyl)imidazoles as antimicrobial agents JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-09 US disclosed