SCHEMBL4675690

SCHEMBL4675690

CCOC(=O)C(=O)CC1(NC(=O)OC(C)(C)C)CCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
CTSL P07711 2/20 0.32
CTSK P43235 1/20 0.32
PPIA P62937 1/20 0.31
MAPK1 P28482 1/20 0.31
EPHX1 P07099 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
APLNR P35414 1/20 0.30

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
SCHEMBL15344539 0.82 P2RX7 (0.40) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL428722 0.79 P2RX7 (0.38) P2RX7MEN1KMT2ACYP2C19CTSL
SCHEMBL14190825 0.79 P2RX7 (0.40) P2RX7MEN1KMT2AALDH1A1CYP1A2
SCHEMBL22765967 0.78 MAOA (0.38) P2RX7MEN1KMT2ACTSLCTSK
SCHEMBL4674233 0.77 CYP1A2 (0.40) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL22960737 0.76 P2RX7 (0.41) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL2055534 0.76 P2RX7 (0.42) P2RX7MEN1KMT2AALDH1A1CYP1A2
SCHEMBL1368840 0.76 P2RX7 (0.40) P2RX7MEN1KMT2ACTSLCTSK
SCHEMBL1162996 0.75 P2RX7 (0.42) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL16081548 0.74 P2RX7 (0.39) P2RX7MEN1KMT2ACTSLCTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-5849757-A Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed