SCHEMBL9626552

SCHEMBL9626552

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
CYP19A1 P11511 2/20 0.41
MAOB P27338 2/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
PDE4A P27815 1/20 0.37
ADRA1A P35348 1/20 0.37
KDR P35968 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 2/20 0.36
MAOA P21397 1/20 0.36
RAB9A P51151 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
SCHEMBL9628111 0.82 CYP19A1 (0.46) ACHECYP19A1MAOBMAPTLMNA
SCHEMBL9524235 0.82 CYP19A1 (0.48) CYP19A1MAOBMAPTSMN1; SMN2GAA
SCHEMBL28752817 0.80 PRKCI (0.41) ACHEMAPTSMN1; SMN2CYP3A4LMNA
SCHEMBL9626473 0.80 MEN1 (0.36) MAOBMAPTSMN1; SMN2LMNAGAA
SCHEMBL9629885 0.80 PDK1 (0.34) ACHEMAOBMAPTLMNAL3MBTL1
SCHEMBL9627102 0.78 CYP19A1 (0.50) CYP19A1SMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL7304372 0.72 CYP1A2 (0.44) CYP19A1MAPTLMNASLC6A2SLC6A3
SCHEMBL6936315 0.71 TSHR (0.41) MAOBMAPTSLC6A2SLC6A3MAOA
SCHEMBL7268160 0.70 SLC16A3 (0.41) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL692064 0.69 MAOA (0.39) MAOBMAPTSMN1; SMN2CYP3A4LMNA

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