SCHEMBL17850683

SCHEMBL17850683

C=CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.46
NR1H2 P55055 1/20 0.42
NAMPT P43490 1/20 0.36
TACR1 P25103 1/20 0.36
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX1 P07099 1/20 0.34
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21902891 1.00 PDE4B (0.46) PDE4BNR1H2NAMPTTACR1USP2
SCHEMBL24215540 1.00 PDE4B (0.46) PDE4BNR1H2NAMPTTACR1USP2
SCHEMBL709070 0.89 PDE4B (0.42) PDE4BNR1H2TACR1EPHX1MEN1
SCHEMBL18814080 0.86 NR1H2 (0.43) PDE4BNR1H2NAMPTTACR1USP2
SCHEMBL22331591 0.86 NR1H2 (0.43) PDE4BNR1H2NAMPTTACR1USP2
SCHEMBL20331899 0.86 NR1H2 (0.43) PDE4BNR1H2NAMPTTACR1USP2
SCHEMBL18814057 0.86 NR1H2 (0.43) PDE4BNR1H2NAMPTTACR1USP2
SCHEMBL1013664 0.83 NR1H2 (0.52) PDE4BNR1H2NAMPTTACR1USP2
SCHEMBL22035920 0.82 NR1H2 (0.47) PDE4BNR1H2NAMPTUSP2SMN1; SMN2
SCHEMBL21388760 0.82 NR1H2 (0.47) PDE4BNR1H2NAMPTUSP2SMN1; SMN2

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
EP-3719024-A1 ARGINASE INHIBITORS AS THERAPEUTICS Mars, Incorporated (US) 2020-10-07 EP disclosed
EP-3034509-B1 ARGINASE INHIBITORS AS THERAPEUTICS MARS INC (US) 2020-04-22 EP disclosed
EP-3034509-A1 ARGINASE INHIBITORS AS THERAPEUTICS Mars, Incorporated (US) 2016-06-22 EP disclosed