SCHEMBL9860754

SCHEMBL9860754

O=C(Cl)c1cc(C(=O)Cl)c(-c2cc(-c3ccccc3)c(C(=O)Cl)cc2C(=O)Cl)cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.44
PTPN1 P18031 4/20 0.43
BACE1 P56817 1/20 0.43
HDAC7 Q8WUI4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
HNF4A P41235 1/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C1 Q04828 2/20 0.41
AKR1C3 P42330 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN6 P29350 2/20 0.40
FOLH1 Q04609 1/20 0.40
PTPN2 P17706 1/20 0.40
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39

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
SCHEMBL10917657 0.91 BCAT2 (0.47) BCAT2PTPN1BACE1HDAC7ALDH1A1
SCHEMBL8067577 0.82 BCAT2 (0.47) BCAT2PTPN1BACE1ALDH1A1ALOX15
SCHEMBL9171492 0.80 PTPN1 (0.57) BCAT2PTPN1BACE1HDAC7ALDH1A1
SCHEMBL8775411 0.79 HDAC7 (0.42) BCAT2PTPN1BACE1HDAC7ALDH1A1
SCHEMBL9490431 0.79 BCAT2 (0.44) BCAT2PTPN1BACE1ALDH1A1ALOX15
SCHEMBL229441 0.78 BCAT2 (0.63) BCAT2ALDH1A1ALOX15HNF4AMEN1
SCHEMBL7079259 0.77 HDAC7 (0.57) BCAT2HDAC7ALDH1A1MEN1KMT2A
SCHEMBL9532086 0.77 BCAT2 (0.55) BCAT2ALDH1A1ALOX15HNF4AMEN1
SCHEMBL3297211 0.75 BCAT2 (0.53) BCAT2ALDH1A1ALOX15HNF4AMEN1
SCHEMBL18825620 0.75 BCAT2 (0.59) BCAT2ALDH1A1ALOX15HNF4AMEN1

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-0229470-B1 BRANCHED COPOLYETHERKETONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-30 EP claimed
US-4720537-A Branched copolyetherketones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-19 US claimed
EP-0229470-A1 Branched copolyetherketones E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-07-22 EP claimed
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
EP-0229470-A1 Branched copolyetherketones E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-07-22 EP disclosed