SCHEMBL29342172

SCHEMBL29342172

C=C(C)C(=O)N[C@@H](I)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29342194 0.71 MLYCD (0.35) L3MBTL1ALDH1A1
SCHEMBL29342171 0.71 MLYCD (0.35) L3MBTL1ALDH1A1
SCHEMBL20100405 0.69 TGFBR1 (0.37) TGFBR1
SCHEMBL2829465 0.68 TGFBR1 (0.43) TGFBR1POLBTDP1L3MBTL1
SCHEMBL24333197 0.67 TGFBR1 (0.50) TGFBR1TDP1RXFP1ALDH1A1
SCHEMBL14951 0.67
SCHEMBL2487819 0.67 TGFBR1 (0.50) TGFBR1TDP1RXFP1ALDH1A1
SCHEMBL1820299 0.67 TGFBR1 (0.50) TGFBR1TDP1RXFP1ALDH1A1
SCHEMBL27401861 0.67
SCHEMBL2828712 0.66 ALDH1A1 (0.36) TGFBR1POLBTDP1L3MBTL1RXFP1

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-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 WO disclosed