SCHEMBL8913076

SCHEMBL8913076

CCc1[c]ccc(-c2ccccc2OC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.46
PTPRC P08575 1/20 0.45
PTPN1 P18031 1/20 0.45
ERN1 O75460 1/20 0.41
CHEK1 O14757 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PDK2 Q15119 1/20 0.39
PTPN5 P54829 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
DHFR P00374 1/20 0.39
MAP4K4 O95819 1/20 0.39
APP P05067 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 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
SCHEMBL28014131 0.83 CNR1 (0.42) HTR7PTPRCPTPN1CHEK1
SCHEMBL15637637 0.81 PTPRC (0.47) HTR7PTPRCPTPN1ERN1CHEK1
SCHEMBL10654609 0.79 HPGD (0.44) HTR7PTPRCPTPN1ERN1CHEK1
SCHEMBL8104516 0.79 TRPA1 (0.43) PTPN5DHFR
SCHEMBL9545924 0.79 HTR7 (0.41) HTR7PDK2AREDNRBEDNRA
SCHEMBL4608554 0.79 PTPRC (0.49) HTR7PTPRCPTPN1ERN1CHEK1
SCHEMBL10553504 0.78 PTPRC (0.47) HTR7PTPRCPTPN1ERN1CHEK1
SCHEMBL27588618 0.78 PTPRC (0.47) HTR7PTPRCPTPN1ERN1CHEK1
SCHEMBL15636516 0.78 CYP2A6 (0.42) ERN1TNKS2PDK2PGRAR
SCHEMBL15063568 0.76 PTPRC (0.43) HTR7PTPRCPTPN1CHEK1PDGFRB

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-5596083-A CELLULOSE, POLYAMIDES, POLYURETHANES OR LEATHER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-01-21 US disclosed