SCHEMBL9154499

SCHEMBL9154499

CCOC(=O)CCc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PPID Q08752 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 2/20 0.39
PPIB P23284 1/20 0.39
MEN1 O00255 1/20 0.39
SENP1 Q9P0U3 1/20 0.39
MAPK1 P28482 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL9154435 0.91 MAPT (0.44) ALDH1A1GAAALOX15MAPTSMN1; SMN2
SCHEMBL9158333 0.90 GAA (0.46) ALDH1A1GAAALOX15MAPTKMT2A
SCHEMBL9159956 0.87 PPIB (0.43) ALDH1A1GAAALOX15MAPTSMN1; SMN2
SCHEMBL9158010 0.86 PPIB (0.44) ALDH1A1GAAALOX15MAPTSMN1; SMN2
SCHEMBL9153919 0.85 MAPT (0.40) ALDH1A1GAAALOX15MAPTPPID
SCHEMBL9155935 0.85 PPIB (0.44) ALDH1A1GAAALOX15MAPTSMN1; SMN2
SCHEMBL9158391 0.84 HPSE (0.46) ALDH1A1GAAALOX15MAPTKMT2A
SCHEMBL29422582 0.84 HPSE (0.46) ALDH1A1GAAALOX15MAPTKMT2A
SCHEMBL9134555 0.84 KMT2A (0.44) MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL9159354 0.83 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2THRBKMT2A

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-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed