SCHEMBL19209623

SCHEMBL19209623

CC(OC(=O)[C@H](C)N)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
TSHR P16473 1/20 0.33
IDO1 P14902 1/20 0.31
DPP4 P27487 3/20 0.31
FAP Q12884 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
PREP P48147 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 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
SCHEMBL29815171 0.90 EPHX1 (0.42) IDO1DPP4DPP7
Hydrochloric Acid SCHEMBL23649914 0.88 EPHX1 (0.41) IDO1DPP4
Hydrochloric Acid SCHEMBL23649912 0.88 EPHX1 (0.41) IDO1DPP4
SCHEMBL10105672 0.86 TSHR (0.36) ALOX5TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL8249586 0.83 SLC7A5 (0.39) ALOX5TSHRIDO1DPP4FAP
SCHEMBL18353906 0.78 MEN1 (0.33) ALOX5TSHR
SCHEMBL215572 0.78
SCHEMBL4269578 0.78
SCHEMBL769926 0.78
SCHEMBL25230832 0.76

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