SCHEMBL30410294

SCHEMBL30410294

COC(=O)C(CC(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LDHB P07195 9/20 0.61
▸ LDHA P00338 8/20 0.61
▸ FFAR1 O14842 6/20 0.50
▸ EEF2K O00418 2/20 0.48
▸ PPARG P37231 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL9867124 0.82 LDHA (0.56) LDHBLDHAFFAR1EEF2KPPARG
SCHEMBL6681008 0.80 KMT2A (0.58) LDHBLDHAL3MBTL1
SCHEMBL13550339 0.80 FFAR1 (0.74) FFAR1PPARG
SCHEMBL8585874 0.80 FFAR1 (0.52) FFAR1L3MBTL1
SCHEMBL5364018 0.79 LDHB (0.50) LDHBLDHAPPARG
SCHEMBL18075387 0.78 LDHB (0.49) LDHBLDHAL3MBTL1
SCHEMBL28440688 0.78 FFAR1 (0.59) LDHBLDHAFFAR1EEF2KL3MBTL1
SCHEMBL30992205 0.77 LDHB (0.48) LDHBLDHAFFAR1PPARG
SCHEMBL6809648 0.77 ALDH1A1 (0.51) LDHBLDHA
SCHEMBL28487899 0.77 L3MBTL1 (0.46) LDHBLDHAL3MBTL1

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
CN-116113728-A Alternating Current (AC) transition metal catalysis 耶达研究与发展有限公司 2023-05-12 — — CN disclosed
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