SCHEMBL17188643

SCHEMBL17188643

CC(CCOc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CN(C)C(=O)C1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
P2RX7 Q99572 3/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL15901974 0.73 LIPG (0.61) LIPG
SCHEMBL14846340 0.73 LIPG (0.61) LIPG
SCHEMBL15907566 0.70 LIPG (0.48) ALDH1A1POLBLIPG
SCHEMBL15952946 0.66 TAS1R3 (0.36) ACACBKMT2AMEN1ALDH1A1MAPT
SCHEMBL15952947 0.66 TAS1R3 (0.36) ACACBKMT2AMEN1ALDH1A1MAPT
SCHEMBL17333776 0.66 CYP1A2 (0.39) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL17340950 0.65 KDM4E (0.39) KMT2AALDH1A1KDM4EMAPTLIPG
SCHEMBL18832560 0.65 KDM4E (0.39) KMT2AALDH1A1KDM4EMAPTLIPG
SCHEMBL17928130 0.64 PLAU (0.34) ACACBKMT2AALDH1A1POLB
SCHEMBL15970577 0.63 HTT (0.45) KMT2AMEN1ALDH1A1POLBKDM4E

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-2760828-B1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 EP disclosed