SCHEMBL10600231

SCHEMBL10600231

CCCc1cccc(CCC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HMGCR P04035 1/20 0.41
ABCB1 P08183 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
PPARA Q07869 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ELANE P08246 1/20 0.37

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
SCHEMBL12683752 0.90 ALOX5 (0.41) ALOX5PTGS2CA12CA1CA2
SCHEMBL28270122 0.90 CA12 (0.40) ALOX5PTGS2CA12CA1CA2
SCHEMBL16959188 0.87 SCN8A (0.39) ALOX5PTGS2CA12CA1CA2
SCHEMBL7281853 0.87 CA12 (0.55) ALOX5PTGS2CA12CA1CA2
SCHEMBL16829571 0.86 ALOX5 (0.53) ALOX5PTGS2CA12CA1CA2
SCHEMBL16959184 0.86 ALOX5 (0.38) ALOX5PTGS2CA12CA1CA2
SCHEMBL11206775 0.86 CA12 (0.40) ALOX5PTGS2CA12CA1CA2
SCHEMBL796853 0.86 HMGCR (0.47) ALOX5PTGS2CA12CA1CA2
SCHEMBL10976468 0.83 GABRA1 (0.37) ALOX5PTGS2HMGCRELANE
SCHEMBL16957848 0.82 ALOX5 (0.39) ALOX5PTGS2CA12CA1CA2

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-0173279-B1 2-(3,5-DIALKYL-4-HYDROXYPHENYL)INDOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 1989-08-23 EP disclosed
US-4695581-A LIPOXYGENASE INHIBITOR TEIKOKU HORMONE MFG. CO., LTD. (JP) 1987-09-22 US disclosed
EP-0173279-A1 2-(3,5-Dialkyl-4-hydroxyphenyl)indole derivatives TEIKOKU HORMONE MFG. CO., LTD. (JP) 1986-03-05 EP disclosed