SCHEMBL11618307

SCHEMBL11618307

CC(=O)Oc1c(C)c(C)nn1Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 14/20 0.41
▸ PPARG P37231 2/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11616625 0.90 PTGDR2 (0.41) PTGDR2PPARGPPARDPPARARXRA
SCHEMBL11636674 0.84 PTGDR2 (0.49) PTGDR2
SCHEMBL11615839 0.80 PTGDR2 (0.47) PTGDR2NPSR1
SCHEMBL11511280 0.74 PDE2A (0.39) —
SCHEMBL11617121 0.73 PTGDR2 (0.40) PTGDR2
SCHEMBL11611744 0.70 GRN (0.43) —
SCHEMBL28785118 0.69 ALDH1A1 (0.41) L3MBTL1
SCHEMBL11618315 0.68 PTGDR2 (0.48) PTGDR2NPSR1
SCHEMBL11619505 0.67 POLB (0.42) PTGDR2NPSR1
SCHEMBL11619251 0.67 SLC22A12 (0.51) L3MBTL1

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-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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