SCHEMBL8085472

SCHEMBL8085472

CCC(C)Nc1cccc(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 3/20 0.55
HSP90AA1 P07900 2/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TSHR P16473 2/20 0.55
HIF1A Q16665 2/20 0.55
TP53 P04637 1/20 0.55
THRB P10828 1/20 0.55
CASP1 P29466 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 2/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 1/20 0.47
APP P05067 1/20 0.47
HSP90AB1 P08238 1/20 0.47
CYP2D6 P10635 1/20 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
SCHEMBL2963582 0.86 ALDH1A1 (0.67) ALDH1A1CYP3A4HSP90AA1ALOX15HSD17B10
SCHEMBL10915949 0.86 ALDH1A1 (0.45) ALDH1A1CYP3A4HSP90AA1ALOX15HSD17B10
SCHEMBL10914621 0.84 ALDH1A1 (0.54) ALDH1A1CYP3A4HSP90AA1ALOX15HSD17B10
SCHEMBL10959519 0.83 ALDH1A1 (0.47) ALDH1A1CYP3A4HSP90AA1ALOX15HSD17B10
SCHEMBL27403528 0.83 ADRB2 (0.43) ALDH1A1CYP3A4HSP90AA1ALOX15HSD17B10
SCHEMBL5159169 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4HSP90AA1ALOX15HSD17B10
SCHEMBL21780495 0.81 ALDH1A1 (0.59) ALDH1A1CYP3A4HSP90AA1ALOX15HSD17B10
SCHEMBL487040 0.80 ALDH1A1 (0.57) ALDH1A1CYP3A4HSP90AA1ALOX15HSD17B10
SCHEMBL27404557 0.80 ALDH1A1 (0.45) ALDH1A1CYP3A4HSP90AA1ALOX15HSD17B10
SCHEMBL7025738 0.79 CYP3A4 (0.57) ALDH1A1CYP3A4HSP90AA1ALOX15HSD17B10

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 7 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-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
EP-0176161-A1 Novel fluoran compounds and production and use thereof TAOKA CHEMICAL CO., LTD (JP) 1986-04-02 EP disclosed