SCHEMBL9878210

SCHEMBL9878210

Oc1cccc(Oc2cccc(Oc3cccc(O)c3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.56
F2 P00734 5/20 0.56
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B14 Q9BPX1 2/20 0.44
RET P07949 1/20 0.44
KIF5B P33176 1/20 0.44
KDR P35968 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL12168388 0.96 F2 (0.53) F10F2ALDH1A1HSD17B10KDM4E
SCHEMBL2903652 0.84 F2 (0.49) F10F2ALDH1A1HSD17B10KDM4E
SCHEMBL22061931 0.83 F10 (0.42) F10F2ALDH1A1HSD17B10KDM4E
SCHEMBL813557 0.82 CYP3A4 (0.58) ALDH1A1HSD17B10CYP3A4CA12CA2
SCHEMBL30358272 0.82 CYP3A4 (0.58) ALDH1A1HSD17B10CYP3A4CA12CA2
SCHEMBL108119 0.82 F10 (0.50) F10F2ALDH1A1HSD17B10KDM4E
SCHEMBL30843232 0.81 TLR4 (0.50) KDM4ECYP3A4RETKIF5BKDR
SCHEMBL2582155 0.81 TLR4 (0.50) KDM4ECYP3A4RETKIF5BKDR
SCHEMBL2906403 0.81 F2 (0.49) F10F2ALDH1A1HSD17B10KDM4E
SCHEMBL3277080 0.81 RAB9A (0.45) F10F2CYP3A4RETKIF5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5003017-A Heat-curable bismaleimide-alkenyl heterocyclic molding material BASF AKTIENGESELLSCHAFT (DE) 1991-03-26 US disclosed
EP-0354500-A2 Thermosetting bismaleinimide molding masses BASF Aktiengesellschaft (DE) 1990-02-14 EP disclosed