SCHEMBL19209722

SCHEMBL19209722

CCC(C)C[C@](C)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.42
CTSS P25774 6/20 0.42
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
CA2 P00918 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CYP2D6 P10635 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
FPR2 P25090 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL3821271 0.85 FPR2 (0.46) CTSKCTSSCA1CA7CA2
SCHEMBL3823963 0.85 FPR2 (0.46) CTSKCTSSCA1CA7CA2
SCHEMBL56735 0.85 FPR2 (0.46) CTSKCTSSCA1CA7CA2
SCHEMBL7271757 0.83 CA1 (0.40) CTSKCTSSCA1CA7CA2
SCHEMBL2258589 0.83 CA1 (0.40) CTSKCTSSCA1CA7CA2
SCHEMBL2837383 0.83 CTSK (0.45) CTSKCTSSCA1CA7CA2
SCHEMBL1979479 0.83 CTSK (0.45) CTSKCTSSCA1CA7CA2
SCHEMBL1979477 0.83 CTSK (0.45) CTSKCTSSCA1CA7CA2
SCHEMBL28168389 0.76 NAALAD2 (0.43) CTSKCTSSCA1CA7CA2
SCHEMBL201901 0.75 TDP1 (0.42) CTSKCTSSCA1CA7CA2

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
CN-107709288-A Phosphamide derivative and preparation method and application thereof 四川海思科制药有限公司 2018-02-16 CN disclosed
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed