SCHEMBL27600486

SCHEMBL27600486

CCCCc1ccc(O)cc1CC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.69
ALOX5 P09917 3/20 0.59
TP53 P04637 2/20 0.59
CYP3A4 P08684 2/20 0.59
HTT P42858 2/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
ESR1 P03372 3/20 0.43
ESR2 Q92731 1/20 0.43
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42

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
SCHEMBL19453933 0.92 TYR (0.69) TYRALOX5TP53CYP3A4HTT
SCHEMBL9339634 0.92 TYR (0.74) TYRALOX5TP53CYP3A4HTT
SCHEMBL27537794 0.88 TYR (0.69) TYRALOX5TP53CYP3A4HTT
SCHEMBL4563615 0.88 TYR (0.69) TYRALOX5TP53CYP3A4HTT
SCHEMBL27795646 0.88 TYR (0.52) TYRALOX5TP53CYP3A4HTT
SCHEMBL9579057 0.87 TYR (0.56) TYRALOX5TP53CYP3A4HTT
SCHEMBL28793655 0.86 ALOX5 (0.73) TYRALOX5TP53CYP3A4HTT
SCHEMBL27847775 0.86 TYR (0.67) TYRALOX5TP53CYP3A4HTT
SCHEMBL10825680 0.86 ALOX5 (0.72) TYRALOX5TP53CYP3A4HTT
SCHEMBL11256971 0.84 ALOX5 (0.76) TYRALOX5TP53CYP3A4HTT

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
CN-108484364-A A kind of separation method of m-ethylphenol and paraethyl phenol 陕西巴斯腾科技有限公司 2018-09-04 CN claimed
CN-108484364-A A kind of separation method of m-ethylphenol and paraethyl phenol 陕西巴斯腾科技有限公司 2018-09-04 CN disclosed
CN-101817713-B Preparation method of 2, 2'-biphenyl diphenol and derivatives thereof BEIJING OKEANOS TECHNOLOGY CO LTD 2013-06-12 CN disclosed
CN-101817713-A Preparation method of 2, 2'-biphenyl diphenol and derivatives thereof BEIJING OKEANOS TECHNOLOGY CO LTD 2010-09-01 CN disclosed
CN-100432150-C Moldable poly(arylene ether) thermosetting compositions, methods, and articles GEN ELECTRIC (US) 2008-11-12 CN disclosed
CN-1802339-A Method for producing 2,2'-dihydroxy-biphenyls BASF AG (DE) 2006-07-12 CN disclosed
CN-1262586-C Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL CO (JP) 2006-07-05 CN disclosed
CN-1639261-A Moldable poly (arylene ether) thermoset compositions, methods, and articles GEN ELECTRIC (US) 2005-07-13 CN disclosed
CN-1405217-A Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL CO (JP) 2003-03-26 CN disclosed