SCHEMBL8974351

SCHEMBL8974351

CCC1(CC)C=C(c2ccc(Cl)cc2)C(c2ccc(S(C)(=O)=O)cc2)=C1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.57
PTGS1 P23219 9/20 0.51
RORC P51449 1/20 0.47

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
SCHEMBL9117936 0.86 PTGS2 (0.55) PTGS2PTGS1RORC
SCHEMBL8973810 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8974391 0.86 PTGS2 (0.59) PTGS2PTGS1RORC
SCHEMBL9117072 0.84 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8974089 0.83 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8974669 0.82 PTGS2 (0.59) PTGS2PTGS1RORC
SCHEMBL8974128 0.81 PTGS2 (0.56) PTGS2PTGS1RORC
SCHEMBL8974331 0.81 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL9115937 0.79 PTGS2 (0.72) PTGS2PTGS1RORC
SCHEMBL8973837 0.77 PTGS2 (0.47) PTGS2PTGS1

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-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed