SCHEMBL8433825

SCHEMBL8433825

COc1ccc(CCCCO/C(=C/c2cccc(CSc3ccccc3OC)n2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.48
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL8434449 0.92 LTB4R (0.46) LTB4R
SCHEMBL8430412 0.91 LTB4R (0.51) LTB4R
SCHEMBL8430684 0.91 LTB4R (0.51) LTB4R
SCHEMBL8431796 0.91 LTB4R (0.46) LTB4R
SCHEMBL8916820 0.90 LTB4R (0.57) LTB4R
SCHEMBL8434516 0.86 LTB4R (0.50) LTB4R
SCHEMBL8434503 0.86 LTB4R (0.49) LTB4R
SCHEMBL8430609 0.85 LTB4R (0.60) LTB4R
SCHEMBL8430569 0.85 LTB4R (0.47) LTB4R
SCHEMBL8430585 0.85 LTB4R (0.50) 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