SCHEMBL9404683

SCHEMBL9404683

c1scc2cc3c(cc12)OCO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
RPS6KB2 Q9UBS0 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
BAK1 Q16611 1/20 0.34
ALOX5 P09917 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
SCHEMBL474616 0.77
SCHEMBL8553004 0.70 L3MBTL1 (0.46) CASP3SENP8SENP7SENP6PDGFRB
SCHEMBL1840582 0.70 ABCG2 (0.60) CYP3A4HSD17B10SMN1; SMN2ABCG2L3MBTL1
SCHEMBL30467200 0.68 CA2 (0.40) CYP3A4HSD17B10SMN1; SMN2ABCG2L3MBTL1
SCHEMBL23625930 0.68 L3MBTL1 (0.40) CASP3SENP8SENP7SENP6CYP3A4
SCHEMBL1134704 0.67 CYP3A4 (0.48) CYP3A4HSD17B10SMN1; SMN2ABCG2ALDH1A1
SCHEMBL9827235 0.67 CASP3 (0.37) CASP3SENP8SENP7SENP6PDGFRB
SCHEMBL11576122 0.67 CYP3A4 (0.46) CASP3SENP8SENP7SENP6PDGFRB
SCHEMBL1650073 0.67 L3MBTL1 (0.39) CASP3SENP8SENP7SENP6CYP3A4
SCHEMBL10370693 0.66 RPS6KB2 (0.42) CASP3SENP8SENP7SENP6PDGFRB

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-0273643-B1 Conducting substituted polyisothianophthenes UNIV CALIFORNIA (US) 1994-01-26 EP claimed
US-4795242-A ELECTROCONDUCTIVITY UNIVERSITY OF CALIFORNIA (US) 1989-01-03 US claimed
EP-0273643-A2 Conducting substituted polyisothianophthenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1988-07-06 EP claimed
EP-0273643-B1 Conducting substituted polyisothianophthenes UNIV CALIFORNIA (US) 1994-01-26 EP disclosed
US-4795242-A ELECTROCONDUCTIVITY UNIVERSITY OF CALIFORNIA (US) 1989-01-03 US disclosed
EP-0273643-A2 Conducting substituted polyisothianophthenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1988-07-06 EP disclosed