SCHEMBL8987398

SCHEMBL8987398

CC(C)(CCCCCCSc1ncc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 15/20 0.47
PTGES O14684 2/20 0.41
NTRK1 P04629 1/20 0.40

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
SCHEMBL8987417 0.82 PTGIR (0.50) LTB4RPTGESNTRK1
SCHEMBL8987281 0.82 PTGIR (0.50) LTB4RPTGESNTRK1
Bicarbonate SCHEMBL3919502 0.80 PTGES (0.41) PTGESNTRK1
SCHEMBL8987348 0.80 PTGES (0.45) PTGESNTRK1
SCHEMBL8987043 0.78 FAAH (0.48) PTGES
SCHEMBL8987239 0.78 FAAH (0.48) PTGES
SCHEMBL8987067 0.78 FAAH (0.48) PTGES
SCHEMBL3282641 0.78 PTGES (0.41) PTGESNTRK1
SCHEMBL3282637 0.78 PTGES (0.41) PTGESNTRK1
SCHEMBL3282547 0.76 HDAC3 (0.37) PTGESNTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed