SCHEMBL31222883

SCHEMBL31222883

CC1(C)OB(c2ccc3c(c2)CCC3=O)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HSD17B1 P14061 3/20 0.41
LPL P06858 5/20 0.40
LIPG Q9Y5X9 5/20 0.40
CYP1A2 P05177 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GRM5 P41594 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL483144 1.00 CASP1 (0.45) CASP1CASP7HSD17B10HSD17B1LPL
SCHEMBL29984001 0.91 MAOB (0.47) HSD17B1LPLLIPGGRM5MAOA
SCHEMBL27080470 0.91 MAOB (0.47) HSD17B1LPLLIPGGRM5MAOA
SCHEMBL204451 0.89 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL1226405 0.88 PBRM1 (0.45) LPLLIPGCA1CA2CA9
SCHEMBL24411917 0.80 LPL (0.39) HSD17B1LPLLIPGROCK1MAOA
SCHEMBL13070935 0.80 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL29502333 0.80 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL16639375 0.80 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL1636716 0.80 PARP10 (0.54) GRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676476-A1 INHIBITORS OF TDP-43 AND TAU AGGREGATION Aquinnah Pharmaceuticals, Inc. (US) 2026-01-14 EP disclosed
WO-2024187126-A1 INHIBITORS OF TDP-43 AND TAU AGGREGATION AQUINNAH PHARMACEUTICALS, INC. (US) 2024-09-12 WO disclosed