SCHEMBL8944334

SCHEMBL8944334

O=[N+]([O-])c1cc(Cl)c(O)cc1OCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
PRSS1 P07477 4/20 0.40
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
DPP4 P27487 1/20 0.39
PREP P48147 1/20 0.39
DPP9 Q86TI2 1/20 0.39
MAPT P10636 3/20 0.38
GPR35 Q9HC97 2/20 0.38
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
PKM P14618 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
Phenol SCHEMBL8944344 0.91 NPC1 (0.42) S1PR4TDP1TSHRALDH1A1CYP3A4
SCHEMBL11414367 0.86 TSHR (0.43) TDP1TSHRALDH1A1PRSS1NPC1
SCHEMBL10885884 0.84 MERTK (0.46) S1PR4TDP1TSHRALDH1A1CYP3A4
SCHEMBL6815549 0.82 MAPT (0.49) S1PR4TDP1TSHRALDH1A1CYP3A4
SCHEMBL10884859 0.82 TSHR (0.48) S1PR4TDP1TSHRALDH1A1PRSS1
SCHEMBL6814271 0.79 MAPT (0.47) S1PR4ALDH1A1CYP3A4NPC1RAB9A
SCHEMBL9024000 0.79 KDM4E (0.41) S1PR4TDP1TSHRALDH1A1PRSS1
SCHEMBL10928788 0.78 S1PR4 (0.45) S1PR4TDP1TSHRALDH1A1CYP3A4
SCHEMBL9865389 0.78 SNCA (0.44) TDP1TSHRALDH1A1CYP3A4PRSS1
SCHEMBL20305541 0.78 DPP4 (0.53) TDP1ALDH1A1CYP3A4DPP4PREP

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