SCHEMBL17307293

SCHEMBL17307293

COc1cccc(OC)c1P(c1cccc(SC(C)C)c1O)c1c(OC)cccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR2 O60603 1/20 0.33
ERN1 O75460 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
APLNR P35414 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
TSHR P16473 1/20 0.33
IDO1 P14902 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
SCHEMBL17307272 0.78 SMN1; SMN2 (0.36) MAPK1
SCHEMBL23308913 0.77 TP53 (0.62) TP53KDM4EMAPTALDH1A1LMNA
SCHEMBL12311850 0.75 ALDH1A1 (0.46) TP53KDM4EMAPTALDH1A1LMNA
SCHEMBL21419466 0.74 MAPT (0.44) TP53KDM4EMAPTALDH1A1LMNA
SCHEMBL29375776 0.72 LMNA (0.39) TP53KDM4EMAPTALDH1A1LMNA
SCHEMBL200412 0.72 GABRA1 (0.43) TP53ALDH1A1LMNACYP3A4HPGD
SCHEMBL12311819 0.72 CA2 (0.48) TP53KDM4EMAPTALDH1A1LMNA
SCHEMBL23308949 0.72 TP53 (0.42) TP53KDM4EMAPTALDH1A1LMNA
SCHEMBL12311889 0.71 MAPT (0.44) TP53KDM4EMAPTALDH1A1LMNA
SCHEMBL5962399 0.70 CA1 (0.50) TP53MAPTALDH1A1MAPK1APLNR

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
EP-2351761-B1 NOVEL METAL COMPLEX, AND METHOD FOR PRODUCING -OLEFIN POLYMER AND METHOD FOR PRODUCING -OLEFIN/(METH)ACRYLATE COPOLYMER EACH USING THE METAL COMPLEX JAPAN POLYPROPYLENE CORP (JP) 2015-12-02 EP disclosed