SCHEMBL28210399

SCHEMBL28210399

Cc1cc(-c2ccc(O)cc2)ccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.53
ESR1 P03372 8/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX5 P09917 1/20 0.46
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 2/20 0.46
ABL1 P00519 2/20 0.44
ABCB1 P08183 2/20 0.44
BCR P11274 2/20 0.44
HSD17B10 Q99714 1/20 0.44
AHR P35869 1/20 0.42

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
SCHEMBL4300888 0.86 AHR (0.55) ESR2MEN1KMT2AABL1AHR
SCHEMBL16168616 0.82 AHR (0.46) ESR2MEN1KMT2AHSD17B10AHR
Chlorocresol SCHEMBL29377724 0.81
Chlorocresol SCHEMBL6552674 0.81 HSD17B10 (0.59) ESR2ESR1HSD17B10
Chlorocresol SCHEMBL12344 0.81
SCHEMBL28092101 0.80 CYP3A4 (0.58) ESR2ESR1MEN1KMT2AHSD17B1
SCHEMBL308031 0.80 ESR2 (0.52) ESR2MEN1KMT2AALOX5HSD17B1
SCHEMBL12954736 0.79 ESR1 (0.55) ESR2ESR1MEN1KMT2AALOX5
SCHEMBL6335821 0.79 AHR (0.70) ESR2ESR1MEN1KMT2AALOX5
Chlorocresol SCHEMBL1712038 0.79 HSD17B10 (0.56) ESR2ESR1HSD17B10

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
CN-107949580-A Penflufen-containing polymer beads 朗盛德国有限责任公司 2018-04-20 CN disclosed