SCHEMBL8049427

SCHEMBL8049427

Cc1oc2c3c(ccc2c1C)CCC(C(=O)O)O3

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 6/20 0.39
NFKB2 Q00653 6/20 0.39
RELA Q04206 6/20 0.39
LTB4R Q15722 12/20 0.38
LTB4R2 Q9NPC1 5/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL8048594 0.70 NFKB1 (0.72) NFKB1NFKB2RELA
SCHEMBL10740193 0.69 NFKB1 (0.41) NFKB1NFKB2RELALTB4RLTB4R2
SCHEMBL7207989 0.69 NFKB1 (0.41) NFKB1NFKB2RELALTB4RLTB4R2
SCHEMBL4202427 0.68 LTB4R (0.41) NFKB1NFKB2RELALTB4RLTB4R2
SCHEMBL14457146 0.67 LTB4R (0.45) NFKB1NFKB2RELALTB4RLTB4R2
SCHEMBL23911581 0.66 NFKB1 (0.41) NFKB1NFKB2RELALTB4RLTB4R2
SCHEMBL4794533 0.66 NFKB1 (0.41) NFKB1NFKB2RELALTB4RLTB4R2
SCHEMBL10511106 0.66 PPARG (0.43) NFKB1NFKB2RELALTB4RLTB4R2
SCHEMBL7552940 0.66 LTB4R (0.47) NFKB1NFKB2RELALTB4RLTB4R2
SCHEMBL7557806 0.66 LTB4R (0.47) NFKB1NFKB2RELALTB4RLTB4R2

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
US-6100268-A MIGRAINES JANSSEN PHARMACEUTICA, N.V. (BE) 2000-08-08 US disclosed
EP-0714396-A1 VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-06-05 EP disclosed
WO-1995005383-A1 VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-02-23 WO disclosed