SCHEMBL7986719

SCHEMBL7986719

CCN(CC)C(=O)/C=C(\C)c1ccc(SC(C)c2ccccc2)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.66
LTB4R2 Q9NPC1 20/20 0.66

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
SCHEMBL7976153 1.00 LTB4R (0.66) LTB4RLTB4R2
SCHEMBL7990412 0.84 LTB4R (0.70) LTB4RLTB4R2
SCHEMBL7990409 0.84 LTB4R (0.70) LTB4RLTB4R2
SCHEMBL7990413 0.84 LTB4R (0.70) LTB4RLTB4R2
SCHEMBL7976162 0.81 LTB4R (0.58) LTB4RLTB4R2
SCHEMBL7976164 0.81 LTB4R (0.58) LTB4RLTB4R2
SCHEMBL7976157 0.81 LTB4R (0.58) LTB4RLTB4R2
SCHEMBL7976595 0.79 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8570415 0.79 LTB4R (0.58) LTB4RLTB4R2
SCHEMBL7976596 0.79 LTB4R (1.00) LTB4RLTB4R2

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-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed