SCHEMBL8766100

SCHEMBL8766100

CC(C)(S)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.53
PTPN2 P17706 2/20 0.53
PTPRA P18433 1/20 0.53
PTPN6 P29350 1/20 0.53
PTPN11 Q06124 1/20 0.53
MME P08473 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
FCER2 P06734 2/20 0.44
MMP1 P03956 4/20 0.43
MMP8 P22894 1/20 0.43
REN P00797 1/20 0.42
OPRM1 P35372 3/20 0.42
MMP2 P08253 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
SCHEMBL8767006 0.88 PTPN1 (0.60) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL22198612 0.78 BACE1 (0.47) PTPN1MME
SCHEMBL20375820 0.77 CASP3 (0.44) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL9444219 0.74 OPRM1 (0.47) CTSLCTSBCTSSOPRM1
SCHEMBL30004432 0.74 FCER2 (0.53) PTPN1MMECTSLFCER2MMP1
SCHEMBL13402940 0.74 MMP1 (0.54) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL13402948 0.74 MMP1 (0.51) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL30999528 0.73 ACE (0.59) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL13783684 0.73 FCER2 (0.48) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL16326771 0.73 FCER2 (0.48) PTPN1PTPN2PTPRAPTPN6PTPN11

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
EP-0777681-A2 CYCLIC CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1997-06-11 EP claimed
WO-1996006108-A2 CYCLIC CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1996-02-29 WO claimed