SCHEMBL7168148

SCHEMBL7168148

C=CCB(CC=C)c1ccc(OCC)cc1CC=C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
NQO1 P15559 1/20 0.37
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GABRA1 P14867 3/20 0.34
GABRB2 P47870 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CYP1A2 P05177 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL1158665 0.89 CNR2 (0.41) LMNAL3MBTL1GAACA12CA1
SCHEMBL1159051 0.86 NR5A1 (0.41) KDM4ECYP1A2MAPTTP53CYP3A4
SCHEMBL7164350 0.85 ALDH1A1 (0.46) PTPN1ALDH1A1LMNAL3MBTL1GABRA1
SCHEMBL7161860 0.83 KDM4E (0.41) KDM4ENQO1PTPN1ALDH1A1HPGD
SCHEMBL7165637 0.77 GABRA1 (0.35) KDM4EALDH1A1HPGDGABRA1GABRB2
SCHEMBL7167552 0.76 L3MBTL1 (0.36) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL9614914 0.75 GABRA1 (0.56) KDM4ENQO1PTPN1ALDH1A1GABRA1
SCHEMBL28191447 0.75 MEN1 (0.51) KDM4ENQO1PTPN1ALDH1A1HPGD
SCHEMBL1158723 0.73 GABRA1 (0.33) KDM4EALDH1A1HPGDLMNAGABRA1
SCHEMBL1158905 0.73 PTGDR (0.43) KDM4EALDH1A1HPGDLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811368-B1 DENTAL PRIMER COMPOSITION AND POLYMERIZATION CATALYST TOKUYAMA CORP (JP) 2003-07-23 EP disclosed
US-5866631-A POLYMERIZABLE MONOMER CONTAINING AN ACIDIC GROUP, WATER, ARYL BORATE AND TRANSITION METAL COMPOUND. TOKUYAMA CORPORATION (JP) 1999-02-02 US disclosed
EP-0811368-A1 DENTAL PRIMER COMPOSITION AND POLYMERIZATION CATALYST TOKUYAMA CORPORATION (JP) 1997-12-10 EP disclosed