SCHEMBL9525707

SCHEMBL9525707

O=C(OCc1ccccc1)C(CO)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 5/20 0.60
ITGB7 P26010 5/20 0.60
CYP19A1 P11511 2/20 0.48
CXCR1 P25024 3/20 0.48
CXCR2 P25025 3/20 0.48
KCNMA1 Q12791 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL9526381 0.84 ITGA4 (0.43) ITGA4ITGB7TDP1
SCHEMBL10429974 0.81 TDP1 (0.48) ITGA4ITGB7KMT2ATDP1LMNA
SCHEMBL11092184 0.80 ITGA4 (0.51) ITGA4ITGB7KMT2AMAPT
SCHEMBL9524996 0.80 CXCR1 (0.60) ITGA4ITGB7CYP19A1CXCR1CXCR2
SCHEMBL9525716 0.80 ITGA4 (0.54) ITGA4ITGB7CYP19A1CXCR1CXCR2
SCHEMBL9527627 0.78 RAB9A (0.50) CYP19A1MEN1KMT2AMAPTGAA
SCHEMBL19511793 0.73 TDP1 (0.60) ITGA4ITGB7CYP19A1KMT2AMAPT
Hydrochloric Acid SCHEMBL27489676 0.72 ITGA4 (0.61) ITGA4ITGB7MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL27489675 0.72 ITGA4 (0.61) ITGA4ITGB7MEN1KMT2AMAPT
SCHEMBL3584166 0.72 CRHBP (0.51) KMT2AMAPTGAATDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366542-B1 5-SUBSTITUTED ORTHO-AMINOPHENOLS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE OXIDATION DYEING OF KERATINIC FIBRES L'OREAL (FR) 1993-07-14 EP disclosed
EP-0366542-A1 5-Substituted ortho-aminophenols, process for their preparation and their use in the oxidation dyeing of keratinic fibres L'OREAL (FR) 1990-05-02 EP disclosed