SCHEMBL29368192

SCHEMBL29368192

C=Cc1ccc(O[C@@H](C)C(=O)O)c(C(F)(F)CC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
TSHR P16473 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PTGDR2 Q9Y5Y4 7/20 0.39
ABCB11 O95342 1/20 0.38
KMT2A Q03164 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
PTGS2 P35354 1/20 0.34
PTGDR Q13258 1/20 0.34
HSD17B10 Q99714 2/20 0.33
PDK2 Q15119 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 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
SCHEMBL28671836 1.00 PPARG (0.39) PPARGPPARDPPARATSHRHTR2A
SCHEMBL22823910 1.00 PPARG (0.39) PPARGPPARDPPARATSHRHTR2A
SCHEMBL29601840 0.88 TAS1R3 (0.38) PPARGPPARDPPARARXRARXRB
SCHEMBL22823911 0.88 TAS1R3 (0.38) PPARGPPARDPPARARXRARXRB
SCHEMBL22805308 0.82 TSHR (0.46) PPARDPPARATSHRHTR2AHTR2C
SCHEMBL22805305 0.82 TSHR (0.46) PPARDPPARATSHRHTR2AHTR2C
SCHEMBL28672367 0.81 TSHR (0.42) PPARDPPARATSHRHTR2AHTR2C
SCHEMBL22805233 0.81 PTGDR2 (0.43) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL22805230 0.81 PTGDR2 (0.43) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL28678921 0.81 TSHR (0.58) PPARGPPARDPPARATSHRHTR2A

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 6 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 claimed
EP-3986852-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2022-04-27 EP claimed
CN-114008012-A Compounds for the treatment of neuromuscular disorders NMD制药股份公司 2022-02-01 CN claimed
CN-114008012-B Compounds for the treatment of neuromuscular disorders NMD制药股份公司 2025-02-25 CN disclosed
EP-3986852-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2022-04-27 EP disclosed
CN-114008012-A Compounds for the treatment of neuromuscular disorders NMD制药股份公司 2022-02-01 CN disclosed