SCHEMBL19209714

SCHEMBL19209714

CCC(C)CN[C@@H](C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
APAF1 O14727 1/20 0.32
TP53 P04637 1/20 0.32
FAAH O00519 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL11496972 0.83 CHRM1 (0.43) ACE2MMEACECPA1FAAH
SCHEMBL25342792 0.82 MME (0.41) ACE2MMEACECPA1CYP2D6
SCHEMBL21441515 0.80 MME (0.40) ACE2MMEACECPA1CYP2D6
SCHEMBL24059966 0.80 MME (0.40) ACE2MMEACECPA1CYP2D6
Hydrochloric Acid SCHEMBL30731552 0.80 MME (0.40) ACE2MMEACECPA1CYP2D6
Hydrochloric Acid SCHEMBL28550969 0.80 MME (0.40) ACE2MMEACECPA1CYP2D6
SCHEMBL15694717 0.78 ACE2 (0.39) ACE2MMEACECPA1ALDH1A1
Hydrochloric Acid SCHEMBL7262796 0.78 MME (0.39) ACE2MMEACECPA1CYP2D6
SCHEMBL574633 0.78 CYP2D6 (0.50) ACE2MMEACECPA1CYP2D6
SCHEMBL10954429 0.78 CYP2D6 (0.50) ACE2MMEACECPA1CYP2D6

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