SCHEMBL9813650

SCHEMBL9813650

CCCCCCCCCc1cc(CO)c(O)c(CO)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.60
CYP3A4 P08684 3/20 0.57
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
TP53 P04637 2/20 0.50
SHBG P04278 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HSPD1 P10809 1/20 0.50
ADRB3 P13945 1/20 0.50
HTR2C P28335 1/20 0.50
HSPE1 P61604 1/20 0.50
HIF1A Q16665 1/20 0.50
TST Q16762 1/20 0.50

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
SCHEMBL5517875 1.00 PTGS2 (0.60) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL10780711 1.00 PTGS2 (0.60) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL27734928 1.00 PTGS2 (0.60) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL28778852 1.00 PTGS2 (0.60) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL10782524 1.00 PTGS2 (0.60) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL10743673 0.98 PTGS2 (0.59) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL11603259 0.96 PTGS2 (0.56) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL11604891 0.96 PTGS2 (0.56) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL11602313 0.95 PTGS2 (0.55) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL17548614 0.95 PTGS2 (0.55) PTGS2CYP3A4ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928058-B Formaldehyde condensation polymer of alkylphenol polyoxyethylene ester and preparation method thereof 威海翔泽新材料科技有限公司 2020-08-04 CN disclosed
CN-106928058-A Formaldehyde condensation polymer body of APES carboxylate and preparation method thereof 威海翔泽新材料科技有限公司 2017-07-07 CN disclosed
CN-101391192-B Alkylphenol polyoxyethylene trimerization surfactant and preparation method thereof UNIV HEBEI TECHNOLOGY 2010-10-06 CN disclosed
CN-101391192-A Alkylphenol polyoxyethylene trimerization surfactant and preparation method thereof UNIV HEBEI TECHNOLOGY (CN) 2009-03-25 CN disclosed
EP-0439259-A1 Improved method for rubber-to-metal bonding LORD CORPORATION (US) 1991-07-31 EP disclosed
US-5030515-A Applying epxoiidezed diene polymer and phenolic resin as primer LORD CORPORATION (US) 1991-07-09 US disclosed
US-4487987-A Method of decolorizing mixtures of aminoethylpiperazine, a polyoxypropylenediamine and alkylphenols with N,N-diethylhydroxylamine TEXACO INC. (US) 1984-12-11 US disclosed
US-4356330-A DISCOLORATION INHIBITION OF POLYETHERURETHANE FOAMS TEXACO INC. (US) 1982-10-26 US disclosed
US-4197379-A RUBBER COMPRISING COPOLYMER OF BUTADIENE OR ISOPRENE AND VINYL NITRILE, REACTED WITH DIMETHYLOL PHENOLIC COMPOUND MONSANTO COMPANY (US) 1980-04-08 US disclosed
US-4164487-A SOLVENT-RESISTANT, FLEXIBLE COATINGS THE DOW CHEMICAL COMPANY (US) 1979-08-14 US disclosed
US-4035435-A FORMALDEHYDE, RESORCINOL COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN, RAISON SOCIALE MICHELIN & CIE (FR) 1977-07-12 US disclosed
US-4025454-A PHENOLIC RESIN BLEND COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN, RAISON SOCIALE MICHELIN & CIE (FR) 1977-05-24 US disclosed