SCHEMBL9385877

SCHEMBL9385877

Cc1cc(N)c(O)cc1CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 3/20 0.38
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PKM P14618 2/20 0.33
RAD52 P43351 2/20 0.33
RECQL P46063 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL6575833 0.84 ALDH1A1 (0.38) ALDH1A1ALOX15HSD17B10NPSR1TSHR
SCHEMBL15957607 0.78 NPSR1 (0.52) ALDH1A1ALOX15HSD17B10NPSR1KDM4E
SCHEMBL14755445 0.77 ALDH1A1 (0.46) ALDH1A1ALOX15HSD17B10NPSR1TSHR
Hydrochloric Acid SCHEMBL10861940 0.77 ALOX5 (0.47) ALDH1A1ALOX15HSD17B10TSHRCYP3A4
SCHEMBL94261 0.75 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10TSHRMAPK1
SCHEMBL29634741 0.75 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10TSHRMAPK1
Hydrochloric Acid SCHEMBL7861016 0.73 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10TSHRMAPK1
Hydrochloric Acid SCHEMBL7861014 0.73 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10TSHRMAPK1
SCHEMBL28636923 0.73 NPSR1 (0.48) ALDH1A1ALOX15HSD17B10NPSR1TSHR
SCHEMBL2955553 0.73 CYP3A4 (0.55) ALDH1A1ALOX15HSD17B10NPSR1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994004125-A1 HAIR DYE PREPARATIONS AND ASSOCIATED METHODS REVLON CONSUMER PRODUCTS CORPORATION (US) 1994-03-03 WO disclosed