SCHEMBL8077402

SCHEMBL8077402

CC(C)CNc1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
APP P05067 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
SNCA P37840 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL4808242 0.87 ALDH1A1 (0.47) KMT2AALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL11637158 0.85 KMT2A (0.46) KMT2AALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL15934237 0.84 ALDH1A1 (0.45) KMT2AALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL8090903 0.81 CYP1A2 (0.46) KMT2AALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL14838659 0.78 MAPT (0.64) KMT2AALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL19956804 0.78 TSHR (0.44) KMT2AALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL55730 0.78 CYP3A4 (0.52) KMT2AALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL11508113 0.77 CYP3A4 (0.56) KMT2AALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL1419584 0.77 GAA (0.46) KMT2AALDH1A1MEN1MAPTRAB9A
SCHEMBL7831815 0.77 CYP1A2 (0.42) KMT2ACYP1A2CYP3A4CYP2D6MAPT

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
JP-4054158-A None JP disclosed
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-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
JP-H0454158-A 3-AMINOPHENOL DERIVATIVE AND PRODUCTION THEREOF MITSUI TOATSU CHEM INC 1992-02-21 JP disclosed
US-4613879-A 3-N-ISOBUTYLETHYLAMINO-6-METHYL-7-PHENYLAMINOFLUORAN SHIN NISSO KAKO CO., LTD. (JP) 1986-09-23 US disclosed