SCHEMBL28670965

SCHEMBL28670965

CCC(=O)c1cc(Cl)c(F)cc1O[C@@H](CF)CCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
TSHR P16473 1/20 0.33
DHODH Q02127 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
NOS2 P35228 1/20 0.31
KMO O15229 2/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
HMGCR P04035 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
SCHEMBL28678912 0.86 HMGCR (0.30) HMGCR
SCHEMBL29602464 0.85 HMGCR (0.35) PPARAPPARGTSHRDHODHHMGCR
SCHEMBL28678911 0.85 HMGCR (0.35) PPARAPPARGTSHRDHODHHMGCR
SCHEMBL22823977 0.85 HMGCR (0.35) PPARAPPARGTSHRDHODHHMGCR
SCHEMBL29602246 0.81 TSHR (0.33) PPARAPPARGTSHRDHODHHMGCR
SCHEMBL22823978 0.81 TSHR (0.33) PPARAPPARGTSHRDHODHHMGCR
SCHEMBL29368033 0.81 TSHR (0.33) PPARAPPARGTSHRDHODHHMGCR
SCHEMBL31324215 0.80 KMO (0.32) CYP2D6SLC6A2SLC6A4NOS2KMO
SCHEMBL22823975 0.78 PPARA (0.37) PPARAPPARG
SCHEMBL29369333 0.78 PPARA (0.37) PPARAPPARG

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
CN-114008012-B Compounds for the treatment of neuromuscular disorders NMD制药股份公司 2025-02-25 CN disclosed
CN-114008012-A Compounds for the treatment of neuromuscular disorders NMD制药股份公司 2022-02-01 CN disclosed