SCHEMBL6673707

SCHEMBL6673707

O=C(C(=O)c1cccc(C#Cc2ccccc2)c1)c1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 6/20 0.52
▸ CES1 P23141 5/20 0.52
▸ PTPN11 Q06124 1/20 0.51
▸ HNF4A P41235 1/20 0.50
▸ APP P05067 1/20 0.50
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ FFAR1 O14842 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ HSP90AA1 P07900 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ S1PR2 O95136 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL4190711 0.88 CES2 (0.58) CES2CES1PTPN11HNF4AAPP
SCHEMBL1927619 0.88 SLC7A11 (0.55) PTPN11HNF4AAPPCA12CA1
SCHEMBL17450481 0.88 ATM (0.61) PTPN11HNF4AAPPCA12CA1
SCHEMBL4848452 0.86 CES2 (0.56) CES2CES1PTPN11HNF4AAPP
SCHEMBL14338517 0.86 ATM (0.65) PTPN11HNF4AAPPCA12CA1
SCHEMBL28979629 0.84 PTPN11 (0.49) PTPN11HNF4AAPPCA12CA1
SCHEMBL12182347 0.84 ACACB (0.57) PTPN11HNF4AAPPCA12CA1
SCHEMBL6675223 0.83 CES2 (0.68) CES2CES1APPFFAR1
SCHEMBL4973133 0.83 CA12 (0.56) PTPN11HNF4ACA12CA1CA2
SCHEMBL2336741 0.80 CES2 (0.71) CES2CES1APPFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1170279-B1 Polyphenylene oligomers and polymers DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-29 — — EP disclosed
EP-0889920-B1 POLYPHENYLENE OLIGOMERS AND POLYMERS DOW CHEMICAL CO (US) 2002-02-13 — — EP disclosed
EP-1170279-A1 Polyphenylene oligomers and polymers THE DOW CHEMICAL COMPANY (US) 2002-01-09 — — EP disclosed
US-6288188-B1 ACETYLENIC POLYMERS; INTEGRATED CIRCUITS, DIELECTRICS, MICROELECTRONICS THE DOW CHEMICAL COMPANY 2001-09-11 — — US disclosed
US-5965679-A BASED A BISCYCLOPENTADIENONE AND AN AROMATIC DIACETYLENE; CURING; LOW DIELECTRIC; INTEGRATED CIRCUITS; MICROELECTRONICS; PRINTED CIRCUITS THE DOW CHEMICAL COMPANY (US) 1999-10-12 — — US disclosed
EP-0889920-A1 POLYPHENYLENE OLIGOMERS AND POLYMERS THE DOW CHEMICAL COMPANY (US) 1999-01-13 — — EP disclosed
WO-1998011149-A1 POLYPHENYLENE OLIGOMERS AND POLYMERS THE DOW CHEMICAL COMPANY (US) 1998-03-19 — — WO disclosed
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