SCHEMBL4336778

SCHEMBL4336778

CC(C)OC(Cc1cccc(CNC(=O)OCc2ccnc3ccccc23)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
NSD2 O96028 1/20 0.41
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
TNKS O95271 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
DNMT1 P26358 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
KCNA5 P22460 2/20 0.38
NAMPT P43490 1/20 0.38
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL4336772 1.00 EPHX1 (0.42) EPHX1NSD2ADAMTS4MMP13TNKS
SCHEMBL4339550 0.83 PPARG (0.46) EPHX1KCNA5PPARGPPARASMN1; SMN2
SCHEMBL4336775 0.83 EPHX1 (0.41) EPHX1NSD2ADAMTS4MMP13TNKS
SCHEMBL4329717 0.81 CYSLTR1 (0.49)
SCHEMBL4329708 0.81 CYSLTR1 (0.49)
SCHEMBL4329917 0.81 DNMT1 (0.40) ADAMTS4MMP13DNMT1DNMT3APPARG
SCHEMBL4339545 0.80 PIN1 (0.43) TNKSTNKS2SMN1; SMN2
SCHEMBL4339543 0.80 PIN1 (0.43) TNKSTNKS2SMN1; SMN2
SCHEMBL4333374 0.80 PPARA (0.46) KCNA5PPARGPPARAPPARD
SCHEMBL4329382 0.79 MAPT (0.47) CTSLCTSSKCNA5NAMPTPPARG

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
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed