SCHEMBL9552109

SCHEMBL9552109

CCCC(F)(F)c1nc(Cc2ccc(-c3ccccc3)c(C(=O)O)c2)n(CC(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.39
AGTR1 P30556 2/20 0.37
AGTR2 P50052 2/20 0.37
PPARG P37231 1/20 0.36
CNR2 P34972 1/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL9553677 0.91 FOLH1 (0.42) FOLH1AGTR1AGTR2PPARGLTB4R
SCHEMBL9553513 0.90 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9552725 0.85 FOLH1 (0.41) FOLH1AGTR1AGTR2
SCHEMBL9552491 0.85 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9552687 0.83 FOLH1 (0.44) FOLH1AGTR1AGTR2PPARGLTB4R
SCHEMBL9552536 0.83 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9553445 0.82 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9749873 0.81 FOLH1 (0.48) FOLH1AGTR1AGTR2CNR2LTB4R
SCHEMBL9552424 0.81 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL9531976 0.80 AGTR1 (0.40) FOLH1AGTR1AGTR2PPARG

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-5229406-A Treatment of glaucoma G. D. SEARLE & CO. (US) 1993-07-20 US disclosed