SCHEMBL30252249

SCHEMBL30252249

O=C(NC1(C(=O)O)CCC1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 8/20 0.36
FABP5 Q01469 5/20 0.36
CA2 P00918 1/20 0.36
ERAP1 Q9NZ08 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PRSS1 P07477 4/20 0.33
TMPRSS15 P98073 4/20 0.33
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSS P25774 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 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
SCHEMBL4330469 0.96 FABP4 (0.39) FABP4FABP5CA2ERAP1ALDH1A1
SCHEMBL7347312 0.94 FABP4 (0.38) FABP4FABP5CA2ERAP1ALDH1A1
SCHEMBL2722431 0.91 CA2 (0.39) FABP4FABP5CA2ALDH1A1PRSS1
SCHEMBL9947946 0.78 CA2 (0.34) CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL16409213 0.76 CTSL (0.34) CA2ALDH1A1SMN1; SMN2CTSS
SCHEMBL23794142 0.73 ALDH1A1 (0.36) FABP4FABP5ERAP1ALDH1A1CYP1A2
SCHEMBL30471330 0.72 DGAT1 (0.38) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL19388569 0.72 CTSS (0.33) CA2CTSS
SCHEMBL16391617 0.72 EPHX1 (0.36) CA2ALDH1A1POLBSMN1; SMN2CTSS
SCHEMBL9613093 0.71 FFAR3 (0.40) FABP4FABP5ALDH1A1CYP1A2

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
EP-4387980-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2024-06-26 EP disclosed
WO-2023023631-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-02-23 WO disclosed