SCHEMBL7095183

SCHEMBL7095183

CC(C)(C)c1ccc(Cc2ccc(O)c(C(C)(C)C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
ALOX15 P16050 3/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 2/20 0.50
TYR P14679 2/20 0.50
NR1I2 O75469 1/20 0.50
CYP2C9 P11712 1/20 0.50
MIF P14174 1/20 0.50
HTT P42858 1/20 0.50
NFE2L2 Q16236 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL2919862 0.91 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10LMNATYR
SCHEMBL31146612 0.91 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10LMNATYR
SCHEMBL29836278 0.91 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10LMNATYR
SCHEMBL3142630 0.86 IDH1 (0.61) ALDH1A1ALOX15HSD17B10LMNATYR
SCHEMBL9817034 0.84 ALDH1A1 (0.52) ALDH1A1ALOX15HSD17B10LMNATYR
SCHEMBL14608188 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10LMNATYR
SCHEMBL8434182 0.80 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10LMNATYR
SCHEMBL699786 0.79 HSPA5 (0.51) ALDH1A1ALOX15HSD17B10LMNATYR
SCHEMBL3128811 0.79 ALDH1A1 (0.56) ALDH1A1ALOX15HSD17B10LMNATYR
SCHEMBL7199857 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10LMNATYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070037-B1 ANTI-INFLAMMATORY, ANTIBACTERIAL BENZYL PHENOL AGENTS COLGATE PALMOLIVE CO (US) 2003-08-20 EP claimed
EP-1070037-A1 ANTI-INFLAMMATORY, ANTIBACTERIAL BENZYL PHENOL AGENTS Colgate-Palmolive Company (US) 2001-01-24 EP claimed
US-5998487-A APPLYING TO ORAL SURFACES COLGATE-PALMOLIVE COMPANY (US) 1999-12-07 US claimed
WO-1999051559-A1 ANTI-INFLAMMATORY, ANTIBACTERIAL BENZYL PHENOL AGENTS COLGATE-PALMOLIVE COMPANY (US) 1999-10-14 WO claimed
EP-1070037-B1 ANTI-INFLAMMATORY, ANTIBACTERIAL BENZYL PHENOL AGENTS COLGATE PALMOLIVE CO (US) 2003-08-20 EP disclosed
US-6403652-B1 A METHOD FOR INHIBITING METHICILLIN DRUG RESISTANT BACTERIA USING A PHENOLIC COMPOUND. COLGATE-PALMOLIVE COMPANY 2002-06-11 US disclosed
EP-1070037-A1 ANTI-INFLAMMATORY, ANTIBACTERIAL BENZYL PHENOL AGENTS Colgate-Palmolive Company (US) 2001-01-24 EP disclosed
US-5998487-A APPLYING TO ORAL SURFACES COLGATE-PALMOLIVE COMPANY (US) 1999-12-07 US disclosed
WO-1999051559-A1 ANTI-INFLAMMATORY, ANTIBACTERIAL BENZYL PHENOL AGENTS COLGATE-PALMOLIVE COMPANY (US) 1999-10-14 WO disclosed