SCHEMBL11616625

SCHEMBL11616625

Cc1nn(Cc2ccc(C(F)(F)F)c(C(F)(F)F)c2)c(OC(=O)C(F)(F)F)c1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 13/20 0.41
▸ PPARG P37231 2/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ P2RY14 Q15391 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL11618307 0.90 PTGDR2 (0.41) PTGDR2PPARGPPARDPPARARXRA
SCHEMBL11618423 0.84 PTGDR2 (0.44) PTGDR2PPARGNPSR1
SCHEMBL11617121 0.83 PTGDR2 (0.40) PTGDR2
SCHEMBL11506684 0.74 PDE2A (0.38) —
SCHEMBL11636674 0.74 PTGDR2 (0.49) PTGDR2P2RY14
SCHEMBL11615839 0.69 PTGDR2 (0.47) PTGDR2NPSR1
SCHEMBL11613245 0.68 P2RY14 (0.47) PTGDR2P2RY14
SCHEMBL11618584 0.67 RAB9A (0.42) PTGDR2PPARGNPSR1
SCHEMBL11617170 0.67 PTGDR2 (0.41) PTGDR2NPSR1
SCHEMBL11618354 0.66 RAB9A (0.41) PTGDR2NPSR1

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 3 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-4117143-A USED AS 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
Send feedback