SCHEMBL532075

SCHEMBL532075

C[C@@H](C(=O)c1nccn1COCc1ccccc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.34
ALOX5 P09917 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PTGES O14684 1/20 0.34
FNTA P49354 1/20 0.34

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
SCHEMBL7413642 0.85 CTSL (0.40) ALDH1A1POLBCTSLCTSSCTSK
SCHEMBL3303697 0.80 CTSL (0.43) CTSLCTSSCTSKSMN1; SMN2NPC1
SCHEMBL10242213 0.77 ATM (0.46) KMT2AMEN1CTSLCTSSCTSK
SCHEMBL27684880 0.76 CYP19A1 (0.41) L3MBTL1
SCHEMBL7408571 0.69 MAPT (0.45) KMT2AALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL10434937 0.69 TSHR (0.44) KMT2AMEN1ALDH1A1POLBCTSL
SCHEMBL9271702 0.69 MAPT (0.37) KMT2AALDH1A1CTSLCTSSCTSK
SCHEMBL17965952 0.68 PGR (0.57) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL532486 0.68 KMT2A (0.49) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL531388 0.68 KMT2A (0.49) KMT2AMEN1ALDH1A1POLBRAB9A

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