SCHEMBL9719429

SCHEMBL9719429

C1=Cc2cc(Cc3ccccc3Cc3ccc4c(c3)C=C4)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43
HTR2A P28223 1/20 0.38
KEAP1 Q14145 1/20 0.38
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
ALOX5 P09917 2/20 0.34
IDH1 O75874 1/20 0.33
MAPT P10636 1/20 0.33
TBXA2R P21731 2/20 0.33
PTGER4 P35408 2/20 0.33
PTGFR P43088 2/20 0.33
PTGER3 P43115 2/20 0.33
PTGER2 P43116 2/20 0.33
PTGDR Q13258 2/20 0.33
TSHR P16473 1/20 0.32
PTGER1 P34995 1/20 0.32
PTGIR P43119 1/20 0.32

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
SCHEMBL9719426 0.86 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HTR2AKEAP1
SCHEMBL9719458 0.83 CA2 (0.42) IDH1MAPTTSHR
SCHEMBL9719476 0.82 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL9719478 0.80 CA2 (0.40) IDH1MAPTTSHR
SCHEMBL9719496 0.79 IDH1 (0.31) KEAP1IDH1
SCHEMBL9719503 0.79 IDH1 (0.39) IDH1MAPT
SCHEMBL9719465 0.78 IDH1 (0.30) IDH1
SCHEMBL9719495 0.72 GFER (0.35) SLC6A2SLC6A3ALOX5MAPT
SCHEMBL9090377 0.69 CA1 (0.33) TSHR
SCHEMBL9320710 0.69 TSHR (0.38) TSHR

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