SCHEMBL21945441

SCHEMBL21945441

Cc1cncc(CCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
FFAR1 O14842 7/20 0.45
TBXAS1 P24557 3/20 0.45
KEAP1 Q14145 1/20 0.44
FFAR4 Q5NUL3 2/20 0.43
P4HTM Q9NXG6 1/20 0.42
ATM Q13315 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL4717945 0.85 ALDH1A1 (0.46) HCAR2ATM
SCHEMBL26698223 0.84 DYRK1A (0.44) HCAR2ATM
SCHEMBL3721675 0.81 HCAR2 (0.52) HCAR2P4HTMATM
SCHEMBL13778479 0.80 FFAR1 (0.56) FFAR1TBXAS1
SCHEMBL30178455 0.80 CYP4F2 (0.53) HCAR2ATM
SCHEMBL30684594 0.79 KDM4E (0.47) FFAR1TBXAS1KEAP1P4HTM
SCHEMBL2433226 0.79 HCAR2 (0.42) HCAR2TBXAS1ATM
SCHEMBL21895742 0.78 CYP2C19 (0.51) HCAR2ATM
SCHEMBL5846204 0.78 FFAR1 (0.61) NPSR1FFAR1KEAP1FFAR4THRA
SCHEMBL18571368 0.78 TBXAS1 (0.45) FFAR1TBXAS1KEAP1P4HTM

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
EP-3055298-B1 MODIFIED AMINO ACIDS COMPRISING TETRAZINE FUNCTIONAL GROUPS, METHODS OF PREPARATION, AND METHODS OF THEIR USE SUTRO BIOPHARMA INC (US) 2020-04-29 EP disclosed