SCHEMBL12814932

SCHEMBL12814932

CCCCCC1CCC2C=CC=CC21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 2/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12816910 0.98 EPHX1 (0.36) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL12814998 0.98 EPHX1 (0.36) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL12815709 0.98 EPHX1 (0.36) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL12815618 0.94 CYP1A2 (0.33)
SCHEMBL7630125 0.78
SCHEMBL10486372 0.72 EPHX1 (0.48) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL11659426 0.70 EPHX1 (0.52) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL11662768 0.70 EPHX1 (0.52) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL10318951 0.68 CYP1A2 (0.37) EPHX1ALOX5ALDH1A1
SCHEMBL6242175 0.67 EPHX1 (0.40) EPHX1ALOX5ALDH1A1L3MBTL1

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-2691406-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) Sumitomo Chemical Company, Limited (JP) 2014-02-05 EP disclosed
EP-2691357-A1 METHOD FOR PRODUCING 1-HEXENE Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
WO-2012133924-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133937-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133921-A1 CATALYST FOR OLEFIN OLIGOMERIZATION AND METHOD FOR PRODUCING α-OLEFIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133929-A1 METHOD FOR PRODUCING THE TRANSITION METAL ION COMPLEX, CATALYST FOR TRIMERIZATION, AND METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133928-A1 TRIMERIZATION CATALYST AND METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133935-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (3) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed