SCHEMBL9626499

SCHEMBL9626499

Nc1ccc(N(CCO)C(=O)OCc2ccccc2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
PDE4A P27815 1/20 0.36
ADRA1A P35348 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
SCHEMBL9626541 0.84 ITGA4 (0.47) CYP19A1ALDH1A1LMNAMAPTKMT2A
SCHEMBL9628015 0.81 RAB9A (0.49) CCR6PAX8CYP19A1ALDH1A1LMNA
Water SCHEMBL9627262 0.80 RAB9A (0.48) CCR6PAX8CYP19A1ALDH1A1LMNA
Water SCHEMBL9627251 0.80 RAB9A (0.48) CCR6PAX8CYP19A1ALDH1A1LMNA
SCHEMBL2433842 0.78 LMNA (0.41) CCR6PAX8TDP1ALDH1A1LMNA
SCHEMBL12311314 0.76 PAX8 (0.49) CCR6PAX8TDP1ALDH1A1LMNA
SCHEMBL554069 0.71 CCR6 (0.64) CCR6PAX8TDP1ALDH1A1LMNA
SCHEMBL1165669 0.71 TDP1 (0.67) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL4507329 0.70 ALDH1A1 (0.47) CCR6PAX8TDP1ALDH1A1LMNA
SCHEMBL10126799 0.70 ALDH1A1 (0.49) CCR6PAX8TDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145483-A Hair dyes L'OREAL (FR) 1992-09-08 US disclosed