Proline

Proline

SCHEMBL17728296

N[C@@H](COC(=O)[C@@H](N)Cc1ccc(OC(=O)[C@@H]2CCCN2)cc1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.37

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
HTR2C P28335 3/20 0.37
HTR2B P41595 2/20 0.37
SLC7A5 Q01650 3/20 0.36
PTPN1 P18031 1/20 0.36
CTSC P53634 4/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
DPP4 P27487 2/20 0.35
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
F2 P00734 1/20 0.33
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33
ITGA4 P13612 2/20 0.33
TPH1 P17752 1/20 0.32
KDM4E B2RXH2 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
Threonine SCHEMBL15971910 0.93 DPP4 (0.34) HTR2CHTR2BSLC7A5PTPN1CTSC
Proline SCHEMBL17728310 0.92 PTPN1 (0.43) HTR2CHTR2BSLC7A5PTPN1CTSC
SCHEMBL17728295 0.89 HTR2C (0.36) HTR2CHTR2BSLC7A5PTPN1CTSC
SCHEMBL4542258 0.88 PTPN1 (0.45) HTR2CHTR2BSLC7A5PTPN1CTSC
Proline SCHEMBL15971882 0.86 ITGB3 (0.39) HTR2CHTR2BSLC7A5PTPN1CTSC
Threonine SCHEMBL17728293 0.84 SLC7A5 (0.37) HTR2CHTR2BSLC7A5PTPN1CTSC
SCHEMBL3100802 0.83 ITGB3 (0.38) HTR2CHTR2BSLC7A5PTPN1CTSC
Lysine SCHEMBL15972073 0.83 ITGB3 (0.36) ITGB3ITGA2BDPP4
Threonine SCHEMBL17728307 0.83 DPP4 (0.33) HTR2CHTR2BSLC7A5PTPN1CTSC
SCHEMBL5576438 0.83 SLC7A5 (0.41) HTR2CHTR2BSLC7A5PTPN1CTSC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958971-B1 MULTI COMPONENT ADHESIVE FOR THE PREPARATION OF ADHESIVE HYDROGELS FRAUNHOFER GES FORSCHUNG (DE) 2018-07-11 EP claimed
US-20160130484-A1 MULTI-COMPONENT ADHESIVE FOR PRODUCING AN ADHESIVE HYDROGEL Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2016-05-12 US claimed
US-20160130484-A1 MULTI-COMPONENT ADHESIVE FOR PRODUCING AN ADHESIVE HYDROGEL Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2016-05-12 US disclosed