SCHEMBL19015751

SCHEMBL19015751

C=CCOC(=O)CNC(=O)C(N)CCC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ PLK1 P53350 1/20 0.33
▸ CTSK P43235 1/20 0.31
▸ LTA4H P09960 1/20 0.30
▸ BMX P51813 1/20 0.30
▸ DPP7 Q9UHL4 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CACNA1B Q00975 1/20 0.30
▸ APBA1 Q02410 1/20 0.30

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
SCHEMBL29357876 0.81 PTGS1 (0.42) TDP1PLK1CTSKLTA4HDPP7
SCHEMBL7888842 0.81 SMN1; SMN2 (0.36) SMN1; SMN2TDP1TSHRCTSKBMX
SCHEMBL27503400 0.80 SMN1; SMN2 (0.36) SMN1; SMN2TDP1TSHR
SCHEMBL27561734 0.80 SMN1; SMN2 (0.36) SMN1; SMN2TDP1TSHR
SCHEMBL28743140 0.80 SMN1; SMN2 (0.36) SMN1; SMN2TDP1TSHR
SCHEMBL6897869 0.78 TSHR (0.41) SMN1; SMN2TDP1TSHRLTA4HDPP7
SCHEMBL15462640 0.78 SMN1; SMN2 (0.37) SMN1; SMN2TDP1TSHRCTSK
SCHEMBL20998091 0.78 DPP7 (0.39) PLK1CTSKDPP7
SCHEMBL27598566 0.77 TDP1 (0.45) SMN1; SMN2TDP1TSHRMAPTCACNA1B
SCHEMBL3151254 0.77 TDP1 (0.45) SMN1; SMN2TDP1TSHRMAPTCACNA1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288615-B1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-06-21 — — EP disclosed
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