SCHEMBL25946274

SCHEMBL25946274

CONC(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.47
CTSS P25774 7/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
REN P00797 1/20 0.39
CAPN1 P07384 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL7895274 0.87 CTSK (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL11169650 0.85 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL20608551 0.85 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL27370835 0.85 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL8416268 0.85 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL13286586 0.84 CTSK (0.56) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL6337223 0.83 PPARA (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL1763873 0.83 CYP1A2 (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL2323692 0.83 PPARA (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL384624 0.83 PPARA (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19

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-2023146892-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2023-08-03 WO disclosed