SCHEMBL11199532

SCHEMBL11199532

O=CCCCCCc1c[nH]c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.38
CYP3A4 P08684 1/20 0.35
HIF1A Q16665 6/20 0.34
EPAS1 Q99814 6/20 0.34
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33
PABPC1 P11940 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 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
SCHEMBL16516482 0.69 GPR84 (0.39) GPR84HIF1AEPAS1TSHR
SCHEMBL4170441 0.69 GPR84 (0.39) GPR84HIF1AEPAS1TSHR
SCHEMBL3662908 0.69
SCHEMBL7036571 0.69
SCHEMBL1489327 0.63 HIF1A (0.75) HIF1ATSHRTDP1
SCHEMBL14616447 0.63 HIF1A (0.75) HIF1ATSHRTDP1
SCHEMBL495540 0.63 HIF1A (0.75) HIF1ATSHRTDP1
SCHEMBL1676795 0.63 HIF1A (0.75) HIF1ATSHRTDP1
SCHEMBL17369100 0.63 HIF1A (0.75) HIF1ATSHRTDP1
SCHEMBL2153965 0.63 HIF1A (0.75) HIF1ATSHRTDP1

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
EP-0079049-A2 Novel substituted alkanoylimidazol-2-one derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1983-05-18 EP disclosed