SCHEMBL8536355

SCHEMBL8536355

CSc1ccc(C(=O)CCCCCCc2ncc[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.57
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
HSD17B3 P37058 5/20 0.38
HAO1 Q9UJM8 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NAMPT P43490 3/20 0.36

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
SCHEMBL8542267 0.84 TBXAS1 (0.49) TBXAS1LMNAMAPTTDP1NAMPT
SCHEMBL8537670 0.82 TBXAS1 (0.57) TBXAS1MAPTNAMPT
SCHEMBL8538995 0.82 TBXAS1 (0.57) TBXAS1MAPTNAMPT
SCHEMBL8536914 0.81 TBXAS1 (0.56) TBXAS1MMP2MMP9MMP8HSD17B3
SCHEMBL4642330 0.81 THRA (0.57) TBXAS1HSD17B3HAO1
SCHEMBL5597244 0.80 THRA (0.55) TBXAS1HSD17B3HAO1
SCHEMBL7196791 0.79 L3MBTL1 (0.55) MMP2MMP9MMP8HSD17B3HAO1
SCHEMBL4642761 0.79 THRA (0.53) TBXAS1HSD17B3HAO1
SCHEMBL4640753 0.77 TBXAS1 (0.52) TBXAS1HSD17B3HAO1L3MBTL1NAMPT
SCHEMBL8540514 0.76 TBXAS1 (0.44) TBXAS1

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-5750532-A TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS SCHERING CORPORATION (US) 1998-05-12 US disclosed