SCHEMBL6830642

SCHEMBL6830642

CCCCCN(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(N)cc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.47
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
PTPN1 P18031 3/20 0.44
PTPRA P18433 1/20 0.44
ACE P12821 1/20 0.44
REN P00797 1/20 0.44

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
SCHEMBL6916267 0.91 CTSK (0.46) CTSKCTSSCTSLCTSBPTPN1
SCHEMBL6796549 0.89 PPARG (0.45) CTSKCTSSCTSLCTSBPTPN1
SCHEMBL6918305 0.84 PTPN1 (0.43) PTPN1
SCHEMBL9438871 0.83 CTSK (0.57) CTSKCTSSCTSLCTSBPTPN1
SCHEMBL6916264 0.81 REN (0.45) CTSKCTSSCTSLCTSBACE
SCHEMBL6796546 0.81 REN (0.45) CTSKCTSSCTSLCTSBACE
SCHEMBL7064449 0.80 CTSK (0.43) CTSK
SCHEMBL7572392 0.79 PTPN1 (0.70) PTPN1PTPRA
SCHEMBL6830867 0.78 CTSS (0.55) CTSKCTSSCTSLCTSBACE
SCHEMBL6917446 0.78 CTSS (0.55) CTSKCTSSCTSLCTSBACE

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
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed