SCHEMBL9752273

SCHEMBL9752273

C[C@H](N)C(=O)NC1(C(=O)O)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DPP4 P27487 1/20 0.34
FABP4 P15090 7/20 0.34
FABP5 Q01469 6/20 0.34
CXCR2 P25025 1/20 0.32
PYGL P06737 4/20 0.32
CTSS P25774 1/20 0.32
LTA4H P09960 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL9334842 0.88 DPP4 (0.37) CYP1A2ALDH1A1DPP4FABP4FABP5
SCHEMBL9334836 0.88 DPP4 (0.37) CYP1A2ALDH1A1DPP4FABP4FABP5
SCHEMBL5101577 0.82 ALDH1A1 (0.36) CYP1A2ALDH1A1FABP4FABP5CXCR2
SCHEMBL1403838 0.78 PYGL (0.33) CYP1A2ALDH1A1FABP4FABP5CXCR2
SCHEMBL1403840 0.78 PYGL (0.33) CYP1A2ALDH1A1FABP4FABP5CXCR2
SCHEMBL4416357 0.78 ECE1 (0.45) ALDH1A1FABP4FABP5
SCHEMBL4598626 0.78 GRM4 (0.42) CYP1A2ALDH1A1DPP4CYP2C9
SCHEMBL3365638 0.78 PYGL (0.33) CYP1A2ALDH1A1FABP4FABP5CXCR2
SCHEMBL4416349 0.78 ECE1 (0.45) ALDH1A1FABP4FABP5
SCHEMBL10062004 0.78 MME (0.36) ALDH1A1FABP4FABP5CXCR2

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
JP-3176498-A None JP disclosed
JP-H03176498-A NEW DIPEPTIDE AND IMMUNOSUPPRESSIVE AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT SNOW BRAND MILK PROD CO LTD 1991-07-31 JP disclosed