SCHEMBL9814019

SCHEMBL9814019

O=C(Cl)c1ccccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.53
BCAT2 O15382 1/20 0.46
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PARP10 Q53GL7 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MCL1 Q07820 3/20 0.44
DHODH Q02127 2/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
SRD5A2 P31213 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
SCN4A P35499 1/20 0.43
LTA4H P09960 2/20 0.43
PNLIP P16233 1/20 0.43
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42

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
SCHEMBL11402358 0.86 GSTP1 (0.56) GSTP1BCAT2PARP10FFAR4MCL1
SCHEMBL18825620 0.83 BCAT2 (0.59) BCAT2SLC6A4SLC6A3GAA
SCHEMBL229441 0.83 BCAT2 (0.63) BCAT2SLC6A4SLC6A3GAA
SCHEMBL4131227 0.83 GAA (0.57) SLC6A4SLC6A3HSP90AA1HSP90AB1POLB
SCHEMBL9532086 0.81 BCAT2 (0.55) BCAT2SLC6A4SLC6A3GAA
SCHEMBL9222322 0.80 GSTP1 (0.59) GSTP1SLC6A3PARP10FFAR4MCL1
SCHEMBL6793681 0.79 SERPINE1 (0.47) SLC6A4SLC6A3FFAR4DHODH
SCHEMBL9243804 0.79 CTNNB1 (0.62) PARP10SRD5A2GAA
SCHEMBL29697586 0.78 BCAT2 (0.47) BCAT2SLC6A4SLC6A3GAA
SCHEMBL28640320 0.78 SLC6A3 (0.64) BCAT2SLC6A4SLC6A3

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-0225144-B1 COPOLYETHERKETONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-07 EP disclosed
EP-0229470-B1 BRANCHED COPOLYETHERKETONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-30 EP disclosed
US-4720537-A Branched copolyetherketones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-19 US disclosed
US-4704448-A MOLDING MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-03 US disclosed
EP-0229470-A1 Branched copolyetherketones E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-07-22 EP disclosed
EP-0225144-A2 Copolyetherketones E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-06-10 EP disclosed