SCHEMBL531457

SCHEMBL531457

C[C@@H](C(=O)c1nccs1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.48
CES1 P23141 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ATM Q13315 1/20 0.41
RBBP9 O75884 1/20 0.40
POLB P06746 1/20 0.40
PLA2G7 Q13093 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 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
SCHEMBL17965952 0.76 PGR (0.57) MEN1KMT2AL3MBTL1MMP3ALDH1A1
SCHEMBL531388 0.76 KMT2A (0.49) MEN1KMT2AALDH1A1ATMPOLB
SCHEMBL532486 0.76 KMT2A (0.49) MEN1KMT2AALDH1A1ATMPOLB
SCHEMBL13562544 0.74 PLA2G4A (0.56) PLA2G4ACES1MEN1KMT2AL3MBTL1
SCHEMBL19349131 0.74 MEN1 (0.61) MEN1KMT2AL3MBTL1MMP3ALDH1A1
SCHEMBL531314 0.73 KDM4C (0.46) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL15812249 0.73 KMT2A (0.59) MEN1KMT2AL3MBTL1MMP3ALDH1A1
SCHEMBL15670744 0.73 KMT2A (0.59) MEN1KMT2AL3MBTL1MMP3ALDH1A1
SCHEMBL13562697 0.72 PLA2G4A (0.60) PLA2G4ACES1MEN1KMT2AL3MBTL1
SCHEMBL15676363 0.72 ADAM17 (0.41) MEN1KMT2AL3MBTL1ALPLALPI

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
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed