SCHEMBL9628015

SCHEMBL9628015

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
CYP19A1 P11511 1/20 0.47
PDK1 Q15118 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
MGLL Q99685 1/20 0.39

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
Water SCHEMBL9627262 0.99 RAB9A (0.48) RAB9ACYP19A1PDK1PTGDR2LMNA
Water SCHEMBL9627251 0.99 RAB9A (0.48) RAB9ACYP19A1PDK1PTGDR2LMNA
SCHEMBL9524051 0.85 CYP19A1 (0.55) RAB9ACYP19A1PDK1PTGDR2LMNA
SCHEMBL9626499 0.81 ACHE (0.41) CYP19A1LMNAALDH1A1KMT2ACCR6
SCHEMBL9626541 0.77 ITGA4 (0.47) RAB9ACYP19A1LMNAALDH1A1MEN1
SCHEMBL9627102 0.74 CYP19A1 (0.50) RAB9ACYP19A1PDK1LMNAALDH1A1
SCHEMBL2433842 0.73 LMNA (0.41) PDK1LMNAALDH1A1KMT2ACCR6
SCHEMBL9526019 0.73 RAB9A (0.56) RAB9ALMNAALDH1A1MEN1KMT2A
SCHEMBL12311314 0.71 PAX8 (0.49) RAB9APDK1LMNAALDH1A1HTT
SCHEMBL9527627 0.70 RAB9A (0.50) RAB9ACYP19A1LMNAALDH1A1MEN1

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