SCHEMBL9521987

SCHEMBL9521987

OCC(O)O.c1cc2ccc1o2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9521720 0.82
Isopropyl Alcohol SCHEMBL20590526 0.78 ALDH1A1 (0.40) ALDH1A1LMNATDP1
Alcohol SCHEMBL8524158 0.78 ALDH1A1 (0.40) ALDH1A1MEN1GLAMAPTHPGD
Alcohol SCHEMBL28609609 0.75 ALDH1A1 (0.38) ALDH1A1MEN1GLAMAPTHPGD
SCHEMBL6120164 0.73 ESR1 (0.39) ALDH1A1LMNATDP1
Propanol SCHEMBL20590519 0.73 ALDH1A1 (0.33) ALDH1A1LMNAMEN1GLAMAPT
Hydroquinone SCHEMBL28129289 0.71 ALOX15 (0.53) ALDH1A1LMNAMEN1MAPTHPGD
SCHEMBL87714 0.71
P-Xylene SCHEMBL678224 0.69 ACHE (0.50) ALDH1A1LMNAMAPTTDP1
Butane SCHEMBL29290122 0.67 TDP1 (0.32) TDP1

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 disclosed
EP-0359618-B1 2-SUBSTITUTED PARA-AMINOPHENOLS AND THEIR USE IN THE COLORATION OF KERATINIC FIBRES L'OREAL (FR) 1993-03-17 EP disclosed
EP-0359618-A1 2-Substituted para-aminophenols and their use in the coloration of keratinic fibres L'OREAL (FR) 1990-03-21 EP disclosed
EP-0331144-A2 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) 1989-09-06 EP disclosed