SCHEMBL7718233

SCHEMBL7718233

CC(Cc1cccc(O)c1)OO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
OPRK1 P41145 5/20 0.45
OPRM1 P35372 4/20 0.45
OPRD1 P41143 4/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
GRIA2 P42262 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44

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
SCHEMBL2969179 0.88 TAAR1 (0.45) SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL13085674 0.84 ENPP2 (0.46) ENPP2SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL2969909 0.81 TAAR1 (0.40) SLC6A2SLC6A4SLC6A3TAAR1GABRA1
SCHEMBL647401 0.80 OPRM1 (0.54) ENPP2OPRK1OPRM1OPRD1CHRM2
SCHEMBL4531632 0.80 ALOX15 (0.55) ENPP2SLC6A2SLC6A3OPRK1OPRM1
SCHEMBL2971228 0.80 HDAC4 (0.41) SLC6A2SLC6A4SLC6A3TAAR1CYP3A4
SCHEMBL9771947 0.80 TAAR1 (0.54) SLC6A2SLC6A4SLC6A3OPRK1TAAR1
SCHEMBL9897167 0.79 SIGMAR1 (0.39) SLC6A2SLC6A4SLC6A3OPRK1OPRM1
SCHEMBL629959 0.79 CHRM2 (0.53) ENPP2OPRK1OPRM1OPRD1CHRM2
Gepefrine SCHEMBL2562808 0.79 TAAR1 (0.61) ENPP2SLC6A2SLC6A4SLC6A3DRD2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0327361-B1 3-(2-HYDROPEROXY-2-PROPYL)PHENOL AND METHOD OF PRODUCING RESORCINOL USING THE SAME MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-03-17 EP claimed
US-5068455-A Oxidation of 3-(2-hydroxy-2-propyl)phenol or m-isopropenylphenol to form hydroperoxide MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-11-26 US claimed
US-5030767-A Decomposition, solvent, inorganic acid or arenesulfonic acid as catalyst MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-07-09 US claimed
EP-0327361-A1 3-(2-hydroperoxy-2-propyl)phenol and method of producing resorcinol using the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-08-09 EP claimed
JP-1199926-A None JP disclosed
JP-1199926-A None JP disclosed
JP-2134363-A None JP disclosed
JP-2134363-A None JP disclosed
US-6379711-B1 AQUEOUS SOLUTION CROMPTON CORPORATION 2002-04-30 US disclosed
EP-1149046-A1 PHOSPHOMOLYBDIC ACID STABILIZER FOR HYDROGEN PEROXIDE Crompton Corporation (US) 2001-10-31 EP disclosed
WO-2000046146-A1 PHOSPHOMOLYBDIC ACID STABILIZER FOR HYDROGEN PEROXIDE CROMPTON CORPORATION (US) 2000-08-10 WO disclosed
EP-0327361-B1 3-(2-HYDROPEROXY-2-PROPYL)PHENOL AND METHOD OF PRODUCING RESORCINOL USING THE SAME MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-03-17 EP disclosed
US-5030767-A Decomposition, solvent, inorganic acid or arenesulfonic acid as catalyst MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-07-09 US disclosed
JP-H02134363-A PRODUCTION OF 3-(2-HYDROPEROXY-2-PROPYL)PHENOL MITSUI PETROCHEM IND LTD 1990-05-23 JP disclosed
JP-H02134363-A PRODUCTION OF 3-(2-HYDROPEROXY-2-PROPYL)PHENOL MITSUI PETROCHEM IND LTD 1990-05-23 JP disclosed
JP-H01199926-A 3-(2-HYDROPEROXY-2-PROPYL)PHENOL AND PREPARATION OF RESORCINOL FROM SAID COMPOUND MITSUI PETROCHEM IND LTD 1989-08-11 JP disclosed
JP-H01199926-A 3-(2-HYDROPEROXY-2-PROPYL)PHENOL AND PREPARATION OF RESORCINOL FROM SAID COMPOUND MITSUI PETROCHEM IND LTD 1989-08-11 JP disclosed
EP-0327361-A1 3-(2-hydroperoxy-2-propyl)phenol and method of producing resorcinol using the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-08-09 EP disclosed
EP-0327361-A1 3-(2-hydroperoxy-2-propyl)phenol and method of producing resorcinol using the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-08-09 EP disclosed
EP-0327361-A1 3-(2-hydroperoxy-2-propyl)phenol and method of producing resorcinol using the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-08-09 EP disclosed