SCHEMBL21703009

SCHEMBL21703009

Cc1cccc2c1nc(COCc1ccccc1)n2COCC[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
NPY1R P25929 5/20 0.39
DGAT1 O75907 2/20 0.37
VCP P55072 1/20 0.37
NPC1 O15118 1/20 0.36
TLR8 Q9NR97 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARA Q07869 1/20 0.34
TSHR P16473 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
SCHEMBL21684760 0.89 PPARG (0.41) PPARGDGAT1VCPNPC1L3MBTL1
SCHEMBL21703014 0.86 NPC1 (0.38) PPARGDGAT1VCPNPC1L3MBTL1
SCHEMBL21684905 0.85 NPC1 (0.36) PPARGDGAT1VCPNPC1L3MBTL1
SCHEMBL23453074 0.84 VCP (0.38) DGAT1VCPNPC1L3MBTL1TSHR
SCHEMBL24859760 0.83 VCP (0.38) DGAT1VCPNPC1L3MBTL1
SCHEMBL21684567 0.83 DGAT1 (0.39) PPARGDGAT1NPC1TLR8
SCHEMBL21684696 0.83 F11 (0.41) PPARGDGAT1VCPNPC1
SCHEMBL21685317 0.83 VCP (0.37) PPARGDGAT1VCPNPC1L3MBTL1
SCHEMBL21684454 0.82 F11 (0.35) PPARGDGAT1VCPNPC1TLR8
SCHEMBL21684566 0.81 F11 (0.38) PPARGDGAT1NPC1

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
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO disclosed