SCHEMBL9526385

SCHEMBL9526385

Nc1ccc(NCC(O)C(=O)OCc2ccccc2)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 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 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
F10 P00742 1/20 0.38
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LTA4H P09960 1/20 0.37
LAP3 P28838 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL10429975 0.84 TDP1 (0.48) LMNACA12CA1CA2CA9
SCHEMBL9525716 0.84 ITGA4 (0.54) LMNATDP1KMT2AITGA4ITGB7
SCHEMBL9527633 0.81 RAB9A (0.50) LMNAKMT2AHSP90AA1ALDH1A1MAPT
SCHEMBL9524957 0.78 F10 (0.56) LMNACA12CA1CA2CA9
SCHEMBL9526381 0.78 ITGA4 (0.43) CA12CA1CA2CA9TDP1
SCHEMBL27803980 0.76 KMT2A (0.50) LMNATDP1SLC6A2SLC6A3KMT2A
SCHEMBL8953583 0.72 LTA4H (0.53) TDP1SLC6A2SLC6A3KMT2AF2
SCHEMBL8953589 0.72 LTA4H (0.53) TDP1SLC6A2SLC6A3KMT2AF2
SCHEMBL1165669 0.71 TDP1 (0.67) LMNATDP1SLC6A2SLC6A3KMT2A
SCHEMBL6945759 0.69 ALDH1A1 (0.53) LMNACA12CA1CA2CA9

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