SCHEMBL7520400

SCHEMBL7520400

Cc1ccc(C=Cc2ccc3c(c2)C=C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.53
PTGS1 P23219 2/20 0.48
PTGS2 P35354 2/20 0.48
ALOX5 P09917 1/20 0.48
RELA Q04206 2/20 0.47
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44

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
SCHEMBL7517561 0.86 LCK (0.42) NFE2L2ALOX5RELACA1MAPT
SCHEMBL7517571 0.86 LCK (0.42) NFE2L2ALOX5RELACA1MAPT
SCHEMBL4038715 0.80 RELA (0.54) NFE2L2RELATUBB1KDM4ECYP1A2
SCHEMBL27230111 0.78 ALDH1A1 (0.48) NFE2L2RELACA1MAPTSMN1; SMN2
(E)-1,2-Di-P-Tolylethene SCHEMBL1793692 0.78 NFE2L2 (0.74) NFE2L2PTGS1PTGS2ALOX5RELA
SCHEMBL318785 0.78 NFE2L2 (0.74) NFE2L2PTGS1PTGS2ALOX5RELA
SCHEMBL318786 0.78 NFE2L2 (0.74) NFE2L2PTGS1PTGS2ALOX5RELA
(E)-1,2-Di-P-Tolylethene SCHEMBL1305582 0.78 NFE2L2 (0.74) NFE2L2PTGS1PTGS2ALOX5RELA
(E)-1,2-Di-P-Tolylethene SCHEMBL1305580 0.78 NFE2L2 (0.74) NFE2L2PTGS1PTGS2ALOX5RELA
SCHEMBL10719726 0.78 CYP1A2 (0.47) NFE2L2PTGS1PTGS2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506314-B1 Process for preparing vinylically-unsaturated compounds DOW CHEMICAL CO (US) 2002-01-30 EP disclosed
US-5247037-A Heat resistance, lower water absorption THE DOW CHEMICAL COMPANY (US) 1993-09-21 US disclosed
US-5243068-A Alkenylation with organic halides THE DOW CHEMICAL COMPANY (US) 1993-09-07 US disclosed
EP-0506314-A2 Process for preparing vinylically-unsaturated compounds THE DOW CHEMICAL COMPANY (US) 1992-09-30 EP disclosed
US-5136069-A Reacting with halogenated organic compound in presence of palladium complex catalyst and inorganic hydrogen halide acceptor THE DOW CHEMICAL COMPANY (US) 1992-08-04 US disclosed
US-4783514-A Polymeric monoarylcyclobutane compositions THE DOW CHEMICAL COMPANY (US) 1988-11-08 US disclosed
EP-0242033-A2 Compositions comprising arylcyclobutene and polymeric compositions prepared therefrom THE DOW CHEMICAL COMPANY (US) 1987-10-21 EP disclosed
WO-1987005303-A1 COMPOSITIONS COMPRISING ARYLCYCLOBUTENE AND POLYMERIC COMPOSITIONS PREPARED THEREFROM THE DOW CHEMICAL COMPANY (US) 1987-09-11 WO disclosed