SCHEMBL8090903

SCHEMBL8090903

CC(C)CCNc1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
APP P05067 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
SNCA P37840 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR7 P34969 2/20 0.44
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11508113 0.82 CYP3A4 (0.56) CYP1A2CYP3A4ALDH1A1CYP2D6MAPT
SCHEMBL8077402 0.81 KMT2A (0.49) CYP1A2CYP3A4ALDH1A1CYP2D6MAPT
SCHEMBL4424661 0.79 ALDH1A1 (0.48) CYP1A2CYP3A4ALDH1A1CYP2D6MAPT
SCHEMBL24685877 0.79 MAPT (0.44) CYP1A2CYP3A4ALDH1A1CYP2D6MAPT
SCHEMBL15928754 0.79 MAPT (0.44) CYP1A2CYP3A4ALDH1A1CYP2D6MAPT
SCHEMBL25824641 0.79 CYP1A2 (0.44) CYP1A2CYP3A4ALDH1A1CYP2D6MAPT
SCHEMBL11639159 0.78 CYP3A4 (0.52) CYP1A2CYP3A4ALDH1A1CYP2D6MAPT
SCHEMBL24172499 0.78 RECQL (0.46) CYP3A4MAPTKMT2ATSHR
SCHEMBL8085534 0.77 ADORA2A (0.44) CYP1A2ALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL453961 0.77 CYP3A4 (0.50) CYP1A2CYP3A4ALDH1A1CYP2D6MAPT

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
WO-2014118093-A2 DYE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR LIPOPHILIC META-AMINOPHENOL COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'OREAL (FR) 2014-08-07 WO disclosed
CN-101486658-B Preparation method of 3- (N-ethyl-N-isoamyl) aminophenol CONNECT WILSON PENGLAI CHEMICAL CO LTD 2011-11-16 CN disclosed
CN-101486658-A Preparation method of 3- (N-ethyl-N-isoamyl) aminophenol CONNECT WILSON PENGLAI CHEMICA (CN) 2009-07-22 CN disclosed
CN-1084327-C Method for preparing amino-phenol CIBA SC HOLDING AG (CH) 2002-05-08 CN disclosed
EP-0831081-B1 Production of aminophenols CIBA SC HOLDING AG (CH) 2000-11-02 EP disclosed
US-5908961-A UNDER AQUEOUS ACIDIC CONDITIONS; CONTINUOUS MONITORING OFPH CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-06-01 US disclosed
CN-1178785-A Method for preparing amino-phenol CIBA GEIGY AG (CH) 1998-04-15 CN disclosed
EP-0831081-A1 Production of aminophenols Ciba SC Holding AG (CH) 1998-03-25 EP disclosed
US-5710335-A REACTING RESORCIN WITH PRIMARY AMINE THEN ALKYL HALIDE MITSUI TOATSU CHEMICALS, INC. (JP) 1998-01-20 US disclosed