SCHEMBL23933769

SCHEMBL23933769

COC(Cc1ccccc1)C(=O)NCC=CCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 4/20 0.50
PSAT1 Q9Y617 2/20 0.43
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
PPARD Q03181 2/20 0.40
MMP2 P08253 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN9A Q15858 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39

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
SCHEMBL23933870 1.00 SRR (0.50) SRRPSAT1PPARGPPARAPPARD
SCHEMBL23933763 1.00 SRR (0.50) SRRPSAT1PPARGPPARAPPARD
SCHEMBL23933767 1.00 SRR (0.50) SRRPSAT1PPARGPPARAPPARD
SCHEMBL23959547 0.87 TSHR (0.43) SRRPPARGPPARATSHR
SCHEMBL23933832 0.87 SRR (0.46) SRRPPARGPPARAPPARD
SCHEMBL23933826 0.87 SRR (0.46) SRRPPARGPPARAPPARD
SCHEMBL23933829 0.87 SRR (0.46) SRRPPARGPPARAPPARD
SCHEMBL23933910 0.85 TAAR1 (0.47)
SCHEMBL23933793 0.85 PNMT (0.43) PPARGPPARACYP3A4
SCHEMBL23933820 0.85 SRR (0.43) SRRPSAT1PPARGPPARA

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-2021217041-A1 N-SUBSTITUTED ALPHA-AMINO AND ALPHA-HYDROXY CARBOXAMIDE DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed