SCHEMBL8944131

SCHEMBL8944131

Nc1ccc(O)cc1SCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.38
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ADORA1 P30542 2/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
NPC1 O15118 2/20 0.33
CA13 Q8N1Q1 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL8446957 0.82 CA2 (0.39) CA2CA12CA1CA7MEN1
SCHEMBL11097224 0.79 GAA (0.47) CA2CA12CA1CA7SLC6A2
SCHEMBL8536593 0.77 CA2 (0.40) CA2CA12CA1CA7MEN1
SCHEMBL11096242 0.77 ALDH1A1 (0.49) SLC6A2SLC6A4SLC6A3ADORA1MEN1
SCHEMBL8621805 0.75 MEN1 (0.54) CA2SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL16155808 0.74 NPC1 (0.47) CA2CA12CA1CA7CA9
SCHEMBL17498336 0.74 SLC6A2 (0.46) CA2CA12CA1CA7CA9
SCHEMBL10373330 0.74 MEN1 (0.39) CA2CA12CA1CA7CA9
SCHEMBL11097307 0.74 GAA (0.53) CA2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL2934946 0.71 CA14 (0.41) CA2CA12CA1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331144-B1 3-SUBSTITUTED PARA-AMINO PHENOLS, PROCESS FOR THEIR PREPARATION, THEIR USE IN DYEING KERATENIC FIBRES AND INTERMEDIATES USED IN THE PREPARATION PROCESS L'OREAL (FR) 1993-06-09 EP claimed
US-5503640-A ALKYLTHIO PARA-AMINOPHENOLS IN AQUEOUS VEHICLE FOR DYEING HUMAN HAIR L'OREAL (FR) 1996-04-02 US disclosed
US-5364413-A Oxidation color dyes for hair L'OREAL (FR) 1994-11-15 US disclosed
US-5084067-A Indoaniline dyes for hair dyes L'OREAL (FR) 1992-01-28 US disclosed