SCHEMBL6675355

SCHEMBL6675355

CCCCCc1cc(CCCCC)c(OC)c(C(C)(C)Br)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.45
ALOX5 P09917 11/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2A P28223 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL6678493 0.81 CNR1 (0.37) PTGS2CYP3A4
SCHEMBL5089891 0.80 PTGS2 (0.45) PTGS2ALOX5CYP3A4
SCHEMBL20226039 0.78 PTGS2 (0.44) PTGS2ALOX5CYP3A4HTR2A
SCHEMBL5086548 0.72 PTGS2 (0.41) PTGS2ALOX5CYP3A4HTR2A
SCHEMBL6565867 0.72 PTGS2 (0.39) PTGS2CYP3A4GPR84
SCHEMBL10602387 0.71 PTGS2 (0.50) PTGS2ALOX5CYP3A4GPR84
SCHEMBL6565887 0.70 CNR2 (0.37) PTGS2ALOX5CYP3A4
SCHEMBL5514786 0.70 PTGS2 (0.61) PTGS2ALOX5HTR2A
SCHEMBL10774036 0.69 ALOX5 (0.56) PTGS2ALOX5HTR2A
SCHEMBL10772181 0.69 ALOX5 (0.56) PTGS2ALOX5HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0963990-B1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6197990-B1 REACTING CYCLOPENTADIENE AND METAL HYDRIDE IN PRESENCE OF AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-06 US disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed