SCHEMBL9527633

SCHEMBL9527633

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
LMNA P02545 1/20 0.43
CYP19A1 P11511 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 3/20 0.41
BRD4 O60885 1/20 0.41
TACR1 P25103 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL9526385 0.81 LMNA (0.40) RAB9AKMT2ALMNAHSP90AA1MAPT
SCHEMBL9526019 0.81 RAB9A (0.56) RAB9AKMT2AMEN1LMNAMAPT
SCHEMBL10429975 0.81 TDP1 (0.48) RAB9AKMT2AMEN1LMNAHSP90AA1
SCHEMBL9527627 0.80 RAB9A (0.50) RAB9AKMT2AMEN1LMNACYP19A1
SCHEMBL9525716 0.78 ITGA4 (0.54) RAB9AKMT2AMEN1LMNACYP19A1
SCHEMBL27803980 0.75 KMT2A (0.50) RAB9AKMT2ALMNAHSP90AA1MAPT
SCHEMBL9524051 0.72 CYP19A1 (0.55) RAB9AKMT2AMEN1LMNACYP19A1
SCHEMBL9523995 0.71 RAB9A (0.58) RAB9AKMT2AMEN1LMNAMAPT
SCHEMBL20691188 0.70 KMT2A (0.74) RAB9AKMT2AMEN1LMNAMAPT
SCHEMBL11842301 0.69 KMT2A (0.51) RAB9AKMT2AMEN1LMNAMAPT

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