Proline

Proline

SCHEMBL5823940

CCOC(=O)[C@H](CCc1ccccc1)OC(=O)[C@@H](N)CCCCNC(=O)C(F)(F)F.O.O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

The experimentally established mechanism targets of Proline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.38
DPP8 Q6V1X1 3/20 0.37
DPP7 Q9UHL4 3/20 0.37
DPP4 P27487 2/20 0.37
DPP9 Q86TI2 2/20 0.37
CXCR3 P49682 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 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
Proline SCHEMBL7375209 0.99 ACE (0.38) ACEDPP8DPP7DPP4DPP9
Proline SCHEMBL7374724 0.91 DPP8 (0.37) DPP8DPP7DPP4DPP9CXCR3
SCHEMBL3369068 0.87 SMN1; SMN2 (0.41) DPP8DPP7CYP1A2CYP2C9CYP2C19
SCHEMBL5348541 0.87 SMN1; SMN2 (0.41) DPP8DPP7CYP1A2CYP2C9CYP2C19
SCHEMBL5349213 0.87 SMN1; SMN2 (0.41) DPP8DPP7CYP1A2CYP2C9CYP2C19
SCHEMBL9022605 0.87 SMN1; SMN2 (0.41) DPP8DPP7CYP1A2CYP2C9CYP2C19
Proline SCHEMBL7378488 0.86 DPP4 (0.43) DPP8DPP7DPP4DPP9CXCR3
SCHEMBL7951097 0.79 ACE (0.41) ACELMNAMEN1KMT2AUSP2
SCHEMBL3373748 0.78 ANPEP (0.42) DPP8DPP7DPP4DPP9CYP1A2
SCHEMBL5353931 0.78 ANPEP (0.42) DPP8DPP7DPP4DPP9CYP1A2

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
JP-2006022001-A METHOD FOR PRODUCING LICINOPRIL DIHYDRATE SHIONOGI & CO LTD 2006-01-26 JP disclosed