SCHEMBL9719476

SCHEMBL9719476

C1=Cc2cc(Cc3cccc4c3C=C4)ccc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL9719496 0.96 IDH1 (0.31)
SCHEMBL9719465 0.95 IDH1 (0.30)
SCHEMBL9719426 0.95 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL9719519 0.86 BCL2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL9719446 0.86 KEAP1 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL9719429 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL9719500 0.80 HSPA5 (0.35)
SCHEMBL9719503 0.76 IDH1 (0.39)
SCHEMBL9719425 0.76 HSPA5 (0.37)
SCHEMBL9719458 0.75 CA2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227163-B1 CROSSLINKABLE ELASTOMERIC COMPOSITIONS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-05-20 EP claimed
EP-0227163-A2 Crosslinkable elastomeric compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-07-01 EP claimed
EP-0227163-B1 CROSSLINKABLE ELASTOMERIC COMPOSITIONS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-05-20 EP disclosed
US-4766180-A Crosslinked elastomers containing benzocyclobutene derivatives as crosslinking agents SHELL OIL COMPANY (US) 1988-08-23 US disclosed
EP-0227163-A2 Crosslinkable elastomeric compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-07-01 EP disclosed