SCHEMBL8546367

SCHEMBL8546367

Cc1nc(Sc2cc(C(F)(F)F)ccn2)sc1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.46
PPARA Q07869 10/20 0.46
PPARG P37231 7/20 0.46
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 6/20 0.39
AGBL2 Q5U5Z8 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL8545901 0.87 ALDH1A1 (0.43) PPARDPPARAPPARGALDH1A1SMN1; SMN2
SCHEMBL8550265 0.83 PPARD (0.49) PPARDPPARAPPARGALDH1A1FFAR1
SCHEMBL8591219 0.83 KDM5B (0.44) PPARDPPARAPPARGALDH1A1SMN1; SMN2
SCHEMBL8545353 0.79 KDM4E (0.45) PPARDALDH1A1SMN1; SMN2FFAR1PTGDR2
SCHEMBL8544759 0.77 PPARD (0.41) PPARDPPARAPPARGALDH1A1SMN1; SMN2
SCHEMBL8548084 0.76 PPARD (0.39) PPARDPPARAPPARGALDH1A1PTGDR2
SCHEMBL5016724 0.73 ALDH1A1 (0.70) PPARDPPARAPPARGALDH1A1SMN1; SMN2
SCHEMBL8551360 0.72 ALDH1A1 (0.46) PPARDPPARAPPARGALDH1A1PTGDR2
SCHEMBL5474625 0.72 PPARD (0.62) PPARDPPARAPPARGFFAR1
SCHEMBL4481950 0.72 PTGDR2 (0.42) PPARDALDH1A1SMN1; SMN2FFAR1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714393-B1 THIAZOLES AS ANTIVIRAL PFIZER (US) 1998-09-23 EP disclosed
US-5789408-A Antiviral thiazoles PFIZER INC. (US) 1998-08-04 US disclosed
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed
EP-0714393-A1 THIAZOLES AS ANTIVIRAL PFIZER INC. (US) 1996-06-05 EP disclosed
WO-1995005378-A1 ANTIVIRAL THIAZOLES PFIZER INC. (US) 1995-02-23 WO disclosed