SCHEMBL9526381

SCHEMBL9526381

Nc1ccc(NC(CO)C(=O)OCc2ccccc2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
TACR1 P25103 1/20 0.41
TYR P14679 1/20 0.40
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACE P12821 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
F10 P00742 1/20 0.38
PDE5A O76074 1/20 0.38
MBTPS1 Q14703 1/20 0.38
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 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
SCHEMBL10429974 0.84 TDP1 (0.48) ITGA4ITGB7TACR1TYRCA12
SCHEMBL9525707 0.84 ITGA4 (0.60) ITGA4ITGB7TDP1
SCHEMBL9527627 0.81 RAB9A (0.50) TACR1
SCHEMBL9524957 0.78 F10 (0.56) POLBCA12CA1CA2CA9
SCHEMBL9526385 0.78 LMNA (0.40) ITGA4ITGB7TACR1CA12CA1
SCHEMBL31195801 0.72 ALDH1A1 (0.55) TACR1TDP1ACEMBTPS1
SCHEMBL8351818 0.71 ALDH1A1 (0.53) TACR1POLBTDP1ACE
SCHEMBL8348342 0.71 ALDH1A1 (0.53) TACR1POLBTDP1ACE
SCHEMBL3783672 0.71 MGLL (0.54) POLBCA12CA1CA2CA9
SCHEMBL10660589 0.71 ALDH1A1 (0.51) TACR1POLBACEMBTPS1

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