SCHEMBL642265

SCHEMBL642265

C=C(CCCNCC(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CACNA1G O43497 1/20 0.36
TET2 Q6N021 4/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
EPHX1 P07099 1/20 0.33
HPGD P15428 1/20 0.32
ANPEP P15144 1/20 0.32
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
CA2 P00918 1/20 0.31
TBXAS1 P24557 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL641327 0.95 CYP2D6 (0.36) CYP2D6CYP2C19CACNA1GTET2SCN1A
SCHEMBL639469 0.93 EPHX1 (0.38) CYP2D6CYP2C19CACNA1GSCN1ASCN2A
SCHEMBL4751813 0.80 CYP2D6 (0.43) CYP2D6CYP2C19CACNA1GLMNAALDH1A1
SCHEMBL303227 0.79 CYP2C19 (0.42) CYP2C19CACNA1GTET2TBXAS1
SCHEMBL246135 0.77 ALOX15 (0.45) CYP2D6CYP2C19EPHX1KDM4EALDH1A1
SCHEMBL636292 0.77 PAOX (0.47) CYP2D6CYP2C19TET2TBXAS1ALDH1A1
SCHEMBL523129 0.77 KDM4E (0.37) CYP2D6CYP2C19TET2KDM4ETDP1
SCHEMBL22861786 0.76 HRH4 (0.34) CYP2C19CACNA1GSCN1ASCN2ASCN3A
SCHEMBL3140244 0.76 LMNA (0.42) LMNAALDH1A1
SCHEMBL7779000 0.76 ALOX15 (0.34) TET2TET3TET1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090103045-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS SALIX PHARMACEUTICALS, INC. 2009-04-23 US claimed
EP-2710078-A1 COMPOSITION CONTAINING ASSOCIATIVE RHEOLOGY MODIFIER AND POLYMER ENCAPSULATED PIGMENT PARTICLES Rohm and Haas Company (US) 2014-03-26 EP disclosed
WO-2013002999-A1 COMPOSITION CONTAINING ASSOCIATIVE RHEOLOGY MODIFIER AND POLYMER ENCAPSULATED PIGMENT PARTICLES ROHM AND HAAS COMPANY (US) 2013-01-03 WO disclosed
US-8119753-B2 Silicone hydrogels with amino surface groups BAUSCH & LOMB INCORPORATED (US) 2012-02-21 US disclosed
US-20090103045-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS SALIX PHARMACEUTICALS, INC. 2009-04-23 US disclosed