SCHEMBL9514870

SCHEMBL9514870

COC(=O)[C@@H](N)CSC.O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.56
GFER P55789 1/20 0.56
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.52
CTSL P07711 3/20 0.51
KMT2A Q03164 1/20 0.50
CTSS P25774 3/20 0.49
CTSB P07858 2/20 0.49
TACR2 P21452 2/20 0.46
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
CNR2 P34972 1/20 0.45

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
SCHEMBL9514522 0.92 POLB (0.58) POLBGFERCYP3A4CYP2D6CYP2C9
SCHEMBL9515722 0.88 POLB (0.56) POLBGFERCYP3A4CYP2D6CYP2C9
SCHEMBL7268474 0.84 POLB (0.76) POLBGFERCYP3A4CYP2D6CYP2C9
SCHEMBL7268468 0.84 POLB (0.76) POLBGFERCYP3A4CYP2D6CYP2C9
SCHEMBL5193787 0.84 POLB (0.74) POLBGFERCYP3A4CYP2D6CYP2C9
SCHEMBL7275964 0.84 POLB (0.74) POLBGFERCYP3A4CYP2D6CYP2C9
Norvaline SCHEMBL9515720 0.82 POLB (0.61) POLBGFERCYP3A4CYP2D6CYP2C9
Leucine SCHEMBL1406330 0.82 CTSS (0.62) POLBGFERGAACTSLKMT2A
Norvaline SCHEMBL9514591 0.82 POLB (0.58) POLBGFERCYP3A4CYP2D6CYP2C9
SCHEMBL7607635 0.81 POLB (0.66) POLBGFERCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266950-B1 Nor-statine and nor-cyclostatine polypeptides PFIZER (US) 1993-12-29 EP disclosed
US-5034376-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1991-07-23 US disclosed
US-4935405-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1990-06-19 US disclosed
US-4814342-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1989-03-21 US disclosed
EP-0266950-A2 Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1988-05-11 EP disclosed