SCHEMBL27685495

SCHEMBL27685495

Cc1ccc(Cc2cccc(O)c2)cc1.c1ccc(-c2cc3ccc2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ESR2 Q92731 2/20 0.43
ACMSD Q8TDX5 1/20 0.41
IDH1 O75874 3/20 0.41
MAPK1 P28482 1/20 0.40
BRD4 O60885 1/20 0.40
ALOX5 P09917 1/20 0.39
PLA2G2A P14555 5/20 0.39
PLA2G10 O15496 4/20 0.39
PTPN1 P18031 1/20 0.39
ESR1 P03372 1/20 0.39
SLC5A2 P31639 1/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G5 P39877 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
PLA2G12B Q9BX93 1/20 0.38

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
SCHEMBL17243694 0.82 IDH1 (0.51) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL27685427 0.81 BCL2 (0.45) CYP3A4ESR2ALOX5
SCHEMBL28238086 0.79 PTPN1 (0.50) ESR2ACMSDIDH1ALOX5PLA2G2A
SCHEMBL27612246 0.79 OPRK1 (0.51) ESR2ALOX5
SCHEMBL9064286 0.76 OPRK1 (0.53) ESR2ALOX5
SCHEMBL21360143 0.76 CALM1 (0.48) ACMSDIDH1PLA2G2APLA2G10PTPN1
SCHEMBL30471604 0.75 IDH1 (0.59) CYP3A4IDH1MAPK1ALOX5
SCHEMBL1531575 0.75 IDH1 (0.59) CYP3A4IDH1MAPK1ALOX5
SCHEMBL14342681 0.74 IDH1 (0.44) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL15694827 0.74 CALM1 (0.55) IDH1SLC5A2

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
CN-101001887-B Multi-branched polymer and method for producing same NIPPON SODA CO.,LTD. (JP) 2012-02-08 CN disclosed
CN-101001887-A Multi-branched polymer and method for producing same NIPPON SODA CO (JP) 2007-07-18 CN disclosed