SCHEMBL8433856

SCHEMBL8433856

COc1ccc(CCCCO/C(=C/c2cccc(CSCc3ccccc3Cl)n2)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 17/20 0.49
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8430684 0.90 LTB4R (0.51) LTB4RALDH1A1SMN1; SMN2
SCHEMBL8430609 0.88 LTB4R (0.60) LTB4R
SCHEMBL8433615 0.87 LTB4R (0.59) LTB4R
SCHEMBL8433617 0.87 LTB4R (0.59) LTB4R
SCHEMBL8916820 0.85 LTB4R (0.57) LTB4RALDH1A1
SCHEMBL8430569 0.85 LTB4R (0.47) LTB4R
SCHEMBL8430585 0.84 LTB4R (0.50) LTB4R
SCHEMBL8434449 0.84 LTB4R (0.46) LTB4R
SCHEMBL8433825 0.84 LTB4R (0.48) LTB4R
SCHEMBL8433096 0.84 LTB4R (0.49) LTB4R

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-5929096-A TREATING DISEASES ATTRIBUTING THEIR ORIGIN OR AFFECT TO LEUKOTRIENES, ANTIALLERGENS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 US disclosed