SCHEMBL19209664

SCHEMBL19209664

CC(Cl)OC(=O)NCC1(CC(=O)OCc2ccccc2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.43
CTSS P25774 3/20 0.43
CTSB P07858 2/20 0.43
ALDH1A1 P00352 7/20 0.39
CYP3A4 P08684 7/20 0.39
TSHR P16473 6/20 0.39
FKBP1A P62942 2/20 0.39
MAPK1 P28482 2/20 0.38
CCR1 P32246 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 6/20 0.38
CYP2C19 P33261 5/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CTSK P43235 1/20 0.38
CYP1A2 P05177 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2D6 P10635 2/20 0.37

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
SCHEMBL25418 0.92 CTSS (0.44) CTSLCTSSCTSBALDH1A1CYP3A4
SCHEMBL2688850 0.88 CTSL (0.41) CTSLCTSSCTSBALDH1A1CYP3A4
SCHEMBL1078249 0.87 CTSS (0.42) CTSLCTSSCTSBALDH1A1CYP3A4
SCHEMBL12246279 0.86 CTSL (0.41) CTSLCTSSCTSBALDH1A1CYP3A4
Acetic Acid SCHEMBL1046437 0.83 NPFFR1 (0.45) CTSLCTSSCTSBCTSKSMN1; SMN2
SCHEMBL2690074 0.83 CTSL (0.40) CTSLCTSSCTSBALDH1A1FKBP1A
SCHEMBL4580794 0.82 SYK (0.49) CTSLCTSSCTSBALDH1A1FKBP1A
SCHEMBL6368219 0.81 CTSS (0.43) CTSLCTSSCTSBALDH1A1FKBP1A
SCHEMBL6368353 0.81 LMNA (0.50) CTSLCTSSCTSBALDH1A1MAPK1
SCHEMBL6368371 0.81 ALDH1A1 (0.49) CTSLCTSSCTSBALDH1A1FKBP1A

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 3 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
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