SCHEMBL7519728

SCHEMBL7519728

O=C1C(c2ccc(F)cc2)=C(c2ccccc2)C(c2ccc(C3=C(c4ccc(F)cc4)C(=O)C(c4ccc(F)cc4)=C3c3ccccc3)cc2)=C1c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.56
MAPK14 Q16539 1/20 0.53
PDE4B Q07343 1/20 0.43
PTGS2 P35354 6/20 0.42
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
XBP1 P17861 1/20 0.41
PTBP1 P26599 1/20 0.41
RAB9A P51151 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41

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
SCHEMBL14338520 1.00 PTGS1 (0.56) PTGS1MAPK14PDE4BPTGS2ESR1
SCHEMBL20161084 0.91 MAPK14 (0.50) PTGS1MAPK14PTGS2HTTMAPT
SCHEMBL20160837 0.88 PDE4B (0.52) PDE4BPTGS2ESR1ESR2HTT
SCHEMBL13170491 0.88 PDE4B (0.52) PDE4BPTGS2ESR1ESR2HTT
SCHEMBL4250744 0.88 PDE4B (0.52) PDE4BPTGS2ESR1ESR2HTT
SCHEMBL13170578 0.88 PDE4B (0.52) PDE4BPTGS2ESR1ESR2HTT
SCHEMBL20160807 0.85 LMNA (0.52) PDE4BPTGS2ESR1ESR2HTT
SCHEMBL516326 0.85 PDE4B (0.54) PDE4BESR1ESR2HTTMEN1
Ethyne SCHEMBL28292549 0.80 PDE4B (0.50) PDE4BESR1ESR2HTTMEN1
SCHEMBL29504918 0.78 ALDH1A1 (0.46) PTGS1MAPK14PTGS2HTTLMNA

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-1170279-A1 Polyphenylene oligomers and polymers THE DOW CHEMICAL COMPANY (US) 2002-01-09 EP claimed
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 claimed
EP-0889920-A1 POLYPHENYLENE OLIGOMERS AND POLYMERS THE DOW CHEMICAL COMPANY (US) 1999-01-13 EP claimed
WO-1998011149-A1 POLYPHENYLENE OLIGOMERS AND POLYMERS THE DOW CHEMICAL COMPANY (US) 1998-03-19 WO claimed
US-6288188-B1 ACETYLENIC POLYMERS; INTEGRATED CIRCUITS, DIELECTRICS, MICROELECTRONICS THE DOW CHEMICAL COMPANY 2001-09-11 US disclosed