SCHEMBL7486997

SCHEMBL7486997

OC(O)(O)COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
KCNA3 P22001 1/20 0.50
ALOX15 P16050 1/20 0.48
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
GGPS1 O95749 1/20 0.42
PKM P14618 1/20 0.42
LTA4H P09960 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL97005 0.81 LMNA (0.47) ALDH1A1RECQLKCNA3ALOX15LMNA
SCHEMBL23824908 0.81 ALDH1A1 (0.46) ALDH1A1RECQLKCNA3ALOX15LMNA
SCHEMBL692288 0.81 TAAR1 (0.46) ALDH1A1RECQLKCNA3ALOX15LMNA
SCHEMBL2200517 0.80 KCNA3 (0.50) ALDH1A1RECQLKCNA3ALOX15LMNA
Hydrochloric Acid SCHEMBL7157447 0.79 TAAR1 (0.45) ALDH1A1RECQLKCNA3ALOX15LMNA
SCHEMBL10758619 0.79 ALDH1A1 (0.45) ALDH1A1RECQLKCNA3ALOX15LMNA
Hydrochloric Acid SCHEMBL2904274 0.79 TAAR1 (0.45) ALDH1A1RECQLKCNA3ALOX15LMNA
SCHEMBL6670071 0.79 ALDH1A1 (0.45) ALDH1A1RECQLKCNA3ALOX15LMNA
SCHEMBL11095913 0.79 LMNA (0.45) ALDH1A1RECQLKCNA3ALOX15LMNA
SCHEMBL13960150 0.79 KCNA3 (0.55) ALDH1A1RECQLKCNA3ALOX15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459900-B2 Process for dyeing of keratinic fibres with 2,4-diamino-1,3-dimethoxybenzene in an acid medium and composition using this process OREAL (FR) 2002-08-28 EP claimed
EP-0594811-B1 OXIDATION HAIR DYE BASED ON A CREAMY CARRIER AND PROCESS FOR DYEING HAIR WELLA AG (DE) 1996-06-12 EP claimed
EP-0459900-A1 Process for dyeing of keratinic fibres with 2,4-diamino-1,3-dimethoxybenzene in an acid medium and composition using this process L'OREAL (FR) 1991-12-04 EP claimed