SCHEMBL9719495

SCHEMBL9719495

C1=Cc2cc(CCc3ccc4c(c3)C=C4)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP19A1 P11511 2/20 0.34
ALOX15 P16050 2/20 0.33
IGF1R P08069 1/20 0.33
LTA4H P09960 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
ALOX5 P09917 1/20 0.32
BACE1 P56817 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
ADRA2A P08913 2/20 0.31
DRD2 P14416 2/20 0.31
DRD1 P21728 2/20 0.31
DRD4 P21917 2/20 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
SCHEMBL9719458 0.82 CA2 (0.42) ESR1ESR2KDM4EMAPTALDH1A1
SCHEMBL9093107 0.79 XDH (0.31) KDM4EMAPTALDH1A1GAACNR1
SCHEMBL9320710 0.78 TSHR (0.38) LTA4HRECQLHSD17B10
SCHEMBL7801458 0.78
SCHEMBL9090377 0.78 CA1 (0.33)
Hydrochloric Acid SCHEMBL9091024 0.76
SCHEMBL9719503 0.74 IDH1 (0.39) ESR1ESR2CYP19A1LTA4HKDM4E
SCHEMBL9092587 0.72 XDH (0.52) ALOX15KDM4EMAPTALDH1A1GAA
SCHEMBL9719429 0.72 SLC6A2 (0.43) MAPTALOX5SLC6A2SLC6A3
SCHEMBL15400572 0.72

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 10 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
US-4766180-A Crosslinked elastomers containing benzocyclobutene derivatives as crosslinking agents SHELL OIL COMPANY (US) 1988-08-23 US 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-0235128-A4 A PROCESS FOR PREPARING REACTIVE POLYMERIC COMPOSITIONS FROM ARYLCYCLOBUTENE MONOMERIC COMPOSITIONS. DOW CHEMICAL CO (US) 1988-01-07 EP disclosed
EP-0235128-A1 A PROCESS FOR PREPARING REACTIVE POLYMERIC COMPOSITIONS FROM ARYLCYCLOBUTENE MONOMERIC COMPOSITIONS. DOW CHEMICAL CO (US) 1987-09-09 EP disclosed
EP-0227163-A2 Crosslinkable elastomeric compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-07-01 EP disclosed
WO-1987001376-A1 A PROCESS FOR PREPARING REACTIVE POLYMERIC COMPOSITIONS FROM ARYLCYCLOBUTENE MONOMERIC COMPOSITIONS THE DOW CHEMICAL COMPANY (US) 1987-03-12 WO disclosed
US-4642329-A Prepolymer processing of arylcyclobutene monomeric compositions THE DOW CHEMICAL COMPANY (US) 1987-02-10 US disclosed