SCHEMBL7609979

SCHEMBL7609979

CCCc1cc(Cl)c(C)cc1O.CCc1cc(Cl)c(C)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.44
LMNA P02545 2/20 0.42
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
MCL1 Q07820 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
SHBG P04278 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL574286 0.94 HMGCR (0.48) HMGCRLMNAESR1ESR2PTPN1
SCHEMBL574139 0.91 LMNA (0.48) LMNAESR1ESR2MCL1MAPT
SCHEMBL16736891 0.84 TYR (0.50) HMGCRLMNAESR1ESR2MAPT
SCHEMBL16736876 0.83 HMGCR (0.48) HMGCRLMNAESR1ESR2MCL1
SCHEMBL16736718 0.83 HMGCR (0.44) HMGCRLMNAESR1ESR2MCL1
SCHEMBL27386561 0.83 LMNA (0.44) LMNAESR1ESR2MCL1MAPT
Chloroxylenol SCHEMBL7860270 0.81 CYP3A4 (0.55) LMNAMCL1MAPTALDH1A1KDM4E
SCHEMBL10639901 0.81 HMGCR (0.53) HMGCRLMNAESR1ESR2PTPN1
SCHEMBL8764455 0.79 HMGCR (0.52) HMGCRLMNAESR1ESR2PTPN1
SCHEMBL16736863 0.79 HMGCR (0.52) HMGCRLMNAESR1ESR2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169017-A1 ANTIMICROBIAL WIPES THE PROCTER & GAMBLE COMPANY (US) 2002-01-09 EP disclosed
WO-2001052811-A1 PERSONAL CLEANSING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-07-26 WO disclosed
WO-2000061107-A1 ANTIMICROBIAL THE PROCTER & GAMBLE COMPANY (US) 2000-10-19 WO disclosed