SCHEMBL5855196

SCHEMBL5855196

CCC(CCCC(C)C(=O)O)C1c2ccc(O)cc2SCC1(C)c1ccc(O)cc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
NR1I2 O75469 1/20 0.34

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
SCHEMBL7257977 0.94 ALOX5 (0.34) ALOX5NR1I2
SCHEMBL7263350 0.94 ALOX5 (0.34) ALOX5NR1I2
SCHEMBL7262817 0.82 ALOX5 (0.34) ALOX5NR1I2
SCHEMBL5855042 0.81 CYP19A1 (0.33)
SCHEMBL5854085 0.81 PTGER2 (0.33)
SCHEMBL5858088 0.81 ALOX5 (0.33) ALOX5NR1I2
SCHEMBL7263372 0.81 ALOX5 (0.33) ALOX5NR1I2
SCHEMBL5856053 0.79 HSD17B3 (0.33)
SCHEMBL7257972 0.77 PTGER2 (0.35)
SCHEMBL7262193 0.76 ESR1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed