SCHEMBL4640241

SCHEMBL4640241

CC(C)(C)CNC(=O)c1ccc(C(=O)NCC(C)(C)C)c2c(C(=O)O)ccc(C(=O)O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
NR1H4 Q96RI1 3/20 0.40
EPHX2 P34913 1/20 0.40
KMT2A Q03164 1/20 0.39
APEX1 P27695 1/20 0.39
ADORA2A P29274 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CNR2 P34972 3/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 2/20 0.36
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 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
SCHEMBL9200354 0.80 CYP1A2 (0.40) CYP1A2NR1H4EPHX2KMT2AAPEX1
SCHEMBL823157 0.79 CYP1A2 (0.56) CYP1A2KMT2AAPEX1KDM4ETAAR1
SCHEMBL2241498 0.77 CYP1A2 (0.44) CYP1A2NR1H4EPHX2KMT2AAPEX1
SCHEMBL823222 0.77 CYP1A2 (0.44) CYP1A2NR1H4EPHX2KMT2AAPEX1
SCHEMBL6076728 0.76 POLB (0.54) CYP1A2KMT2AKDM4EHTTMAPK1
SCHEMBL9875991 0.76 CYP1A2 (0.56) CYP1A2KMT2AAPEX1KDM4ETAAR1
SCHEMBL9293422 0.75 CYP1A2 (0.50) CYP1A2KMT2AAPEX1KDM4ETAAR1
SCHEMBL13593098 0.75 KDM4E (0.43) NR1H4EPHX2KMT2AAPEX1ADORA2A
SCHEMBL1284802 0.74 CA2 (0.51) CYP1A2NR1H4EPHX2KMT2AAPEX1
SCHEMBL22283351 0.74 CYP1A2 (0.48) CYP1A2KMT2AAPEX1KDM4ETAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465019-B1 Imaging members XEROX CORP (US) 2008-08-06 EP disclosed
US-7297458-B2 Electrophotographic image receivers comprising flexible supporting substrates having electroconductive, charge control, generating, transfer multilayers, binders and optionally adhesives; photoreceptors XEROX CORPORATION (US) 2007-11-20 US disclosed
US-7223507-B2 Imaging members XEROX CORPORATION (US) 2007-05-29 US disclosed
US-20050287454-A1 Electrophotographic image receivers comprising flexible supporting substrates having electroconductive, charge control, generating, transfer multilayers, binders and optionally adhesives; photoreceptors XEROX CORPORATION 2005-12-29 US disclosed
US-20040197685-A1 Imaging members XEROX CORPORATION 2004-10-07 US disclosed
EP-1465019-A2 Imaging members Xerox Corporation (US) 2004-10-06 EP disclosed