SCHEMBL7165340

SCHEMBL7165340

C=CCB(c1cccc(OC)c1)c1cccc(OC)c1CC=C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 7/20 0.37
ALOX12 P18054 2/20 0.37
CYP3A4 P08684 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DCTPP1 Q9H773 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
PTPN1 P18031 1/20 0.35
NQO2 P16083 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
TUBB4A P04350 1/20 0.35

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
SCHEMBL7163680 0.83 KDM4E (0.38) MAPK1ALDH1A1CYP3A4TP53TSHR
SCHEMBL1159241 0.81 CNR2 (0.38) TSHRSMN1; SMN2KDM4EMAPTTDP1
SCHEMBL1159083 0.80 TSHR (0.41) TSHRALOX5
SCHEMBL7165311 0.77 ALDH1A1 (0.43) ENPP2ALDH1A1ALOX12CYP3A4TP53
SCHEMBL7158369 0.72 TP53 (0.33) TP53GAATDP1
SCHEMBL2845228 0.72 ALDH1A1 (0.53) ALDH1A1ALOX12CYP3A4TP53ALOX15
SCHEMBL7159511 0.70 ALDH1A1 (0.45) ENPP2ALDH1A1ALOX12CYP3A4TP53
SCHEMBL28338628 0.66 ALDH1A1 (0.48) MAPK1ALDH1A1ALOX12CYP3A4TP53
SCHEMBL12327826 0.66 ALDH1A1 (0.51) MAPK1ALDH1A1ALOX12CYP3A4TP53
SCHEMBL18984961 0.66 ALDH1A1 (0.48) ALDH1A1CYP3A4ALOX15SMN1; SMN2KDM4E

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