Sugi Predict

Sugi Predict / Compounds / SCHEMBL7974190

SCHEMBL7974190

SCHEMBL7974190

CCC(Oc1cccc2c1OC(SCc1ccccc1)c1sc(-c3ccccc3-c3ccc4ccccc4c3)nc1-2)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 11/20 0.38
▸ PPARG P37231 10/20 0.38
▸ S1PR5 Q9H228 6/20 0.34
▸ S1PR4 O95977 5/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ PPARD Q03181 4/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32

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
SCHEMBL7974184 0.89 PPARG (0.41) PPARAPPARGPTGDR2PPARD
SCHEMBL7521989 0.86 S1PR5 (0.37) S1PR5S1PR4FABP4PPARD
SCHEMBL7527054 0.74 PPARD (0.38) PPARAPPARGPTGDR2PPARD
SCHEMBL7523863 0.73 TP53 (0.44) PTGDR2PPARD
SCHEMBL7974188 0.70 PPARG (0.37) PPARAPPARGS1PR5S1PR4FABP4
SCHEMBL7962805 0.62 ALDH1A1 (0.35) PPARAPPARGPTGDR2PPARD
SCHEMBL7974327 0.61 PPARA (0.42) PPARAPPARGFABP4PTGDR2PPARD
SCHEMBL7962753 0.61 PPARA (0.38) PPARAPPARGFABP4PPARD
SCHEMBL8935913 0.60 PPARG (0.77) PPARAPPARGAKR1C3AKR1C2
SCHEMBL8935921 0.60 PPARG (0.77) PPARAPPARGAKR1C3AKR1C2

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-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 — — US disclosed