SCHEMBL19209615

SCHEMBL19209615

CC[C@@H](C)[C@](C)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.44
CTSS P25774 6/20 0.44
CA1 P00915 2/20 0.40
CA7 P43166 2/20 0.40
CA2 P00918 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
APLNR P35414 1/20 0.35
SYK P43405 1/20 0.35
CAPN1 P07384 1/20 0.35

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
SCHEMBL19209627 1.00 CTSK (0.44) CTSKCTSSCA1CA7CA2
SCHEMBL28000287 1.00 CTSK (0.44) CTSKCTSSCA1CA7CA2
SCHEMBL19209708 0.84 CTSK (0.45) CTSKCTSSCA1CA7CA2
SCHEMBL3373434 0.83 CA1 (0.42) CTSKCTSSCA1CA7CA2
SCHEMBL3528813 0.83 CA1 (0.42) CTSKCTSSCA1CA7CA2
SCHEMBL3528810 0.83 CA1 (0.42) CTSKCTSSCA1CA7CA2
SCHEMBL14975931 0.83 CTSK (0.44) CTSKCTSSCA1CA7CA2
SCHEMBL7270157 0.80 CTSK (0.42) CTSKCTSSCA1CA7CA2
SCHEMBL17627335 0.78 CTSK (0.40) CTSKCTSSCA1CA7CA2
SCHEMBL22362794 0.77 APLNR (0.41) 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