SCHEMBL531314

SCHEMBL531314

C[C@@H](C(=O)c1cc(Cl)ccn1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.40
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
PTGES O14684 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 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
SCHEMBL531472 0.73 MEN1 (0.45) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL17965952 0.73 PGR (0.57) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL531388 0.73 KMT2A (0.49) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL532486 0.73 KMT2A (0.49) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL531457 0.73 PLA2G4A (0.48) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL27983616 0.71 KDM4C (0.45) KDM4C
SCHEMBL8087046 0.71 KDM4C (0.54) KDM4CALDH1A1MAPTMEN1KMT2A
SCHEMBL19349131 0.71 MEN1 (0.61) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL1197307 0.71 L3MBTL1 (0.51) KDM4CALDH1A1MAPTL3MBTL1MEN1
SCHEMBL3202566 0.70 GSK3B (0.49) ALDH1A1MAPTL3MBTL1KMT2ALMNA

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