SCHEMBL5507106

SCHEMBL5507106

C=C(C)c1ccc(O)cc1.C=Cc1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.44
ESR2 Q92731 3/20 0.44
NQO2 P16083 3/20 0.38
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
ALDH1A1 P00352 1/20 0.35
MAPT P10636 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
POLB P06746 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
RAB9A P51151 1/20 0.34

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
4-Vinylphenol SCHEMBL7196346 0.88 ESR1 (0.50) ESR1ESR2NQO2PTGS1PTGS2
SCHEMBL1760727 0.80 ALDH1A1 (0.55) ESR1ESR2ALDH1A1MAPTPOLB
SCHEMBL1066908 0.80 PRSS1 (0.48) PRSS1PRSS2PRSS3CA2LMNA
SCHEMBL164874 0.78 ALDH1A1 (0.58) ALDH1A1PRSS1PRSS2PRSS3TAS1R3
Alcohol SCHEMBL5686049 0.77 ALDH1A1 (0.50) ALDH1A1PRSS1PRSS2PRSS3TAS1R3
Methane SCHEMBL27661538 0.76 ALDH1A1 (0.55) ALDH1A1PRSS1PRSS2PRSS3POLB
Acetic Acid SCHEMBL3035368 0.75 ALDH1A1 (0.44) ALDH1A1POLBTAS1R3TAS1R1CA2
Methacrylic Acid SCHEMBL5685586 0.75 ALDH1A1 (0.39) ALDH1A1POLBTAS1R3TAS1R1LMNA
Ethylene Glycol SCHEMBL7427749 0.74 MAPT (0.50) ESR1ESR2PTGS1PTGS2ALDH1A1
4-Vinylphenol SCHEMBL3651881 0.74 ALDH1A1 (0.52) ESR1ESR2PTGS1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1298166-B1 RUBBER COMPOSITION JSR CORP (JP) 2007-02-21 EP claimed
US-6699935-B2 A CROSSLINKED RUBBER PARTICLES CONTAINING CONJUGATED DIENE MONOMER, AROMATIC VINYL MONOMER AND MONOMER WITH AT LEAST TWO POLYMERIZABLE UNSATURATED GROUPS DISPERSED IN A CONJUGATED DIENE/AROMATIC VINYL COPOLYMER; RESIST TO ROLLING, SKID, WEAR JSR CORPORATION (JP) 2004-03-02 US claimed
US-6653404-B2 Melt processability; dimensional stability JSR CORPORATION (JP) 2003-11-25 US claimed
US-20030125467-A1 A crosslinked rubber particles containing conjugated diene monomer, aromatic vinyl monomer and monomer with at least two polymerizable unsaturated groups dispersed in a conjugated diene/aromatic vinyl copolymer; resist to rolling, skid, wear JSR CORPORATION (JP) 2003-07-03 US claimed
EP-1298166-A1 RUBBER COMPOSITION JSR Corporation (JP) 2003-04-02 EP claimed
US-20010053813-A1 Rubber compositions JSR CORPORATION (JP) 2001-12-20 US claimed
US-6653404-B2 Melt processability; dimensional stability JSR CORPORATION (JP) 2003-11-25 US disclosed
US-20010053813-A1 Rubber compositions JSR CORPORATION (JP) 2001-12-20 US disclosed