SCHEMBL9428342

SCHEMBL9428342

C=CCCc1cc(COC)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.41
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
SLC16A3 O15427 3/20 0.37
MCTS1 Q9ULC4 2/20 0.35
SLC16A1 P53985 1/20 0.35
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL9455354 0.91 PPARG (0.44) AGTR1AGTR2
SCHEMBL9427972 0.79 PPARG (0.57) AGTR1AGTR2
SCHEMBL7049483 0.77 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9429451 0.77 SLC6A3 (0.43) AGTR1AGTR2
SCHEMBL9736713 0.77 FOLH1 (0.44) FOLH1LTB4RLTB4R2AGTR1AGTR2
SCHEMBL9428161 0.74 SLC16A3 (0.35) SLC16A3MCTS1SLC16A1
SCHEMBL9528345 0.74 FOLH1 (0.42) FOLH1LTB4RLTB4R2AGTR1AGTR2
SCHEMBL10514075 0.74 PPARG (0.50) FOLH1AGTR1AGTR2
SCHEMBL9427421 0.73 PPARG (0.54) AGTR1AGTR2
SCHEMBL9428006 0.72 AGTR1 (0.49) LTB4R2AGTR1AGTR2

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-5315013-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-24 US disclosed