SCHEMBL8375676

SCHEMBL8375676

CC(C)c1c(OCCNC(=O)OC(C)(C)C)noc1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
CTSK P43235 3/20 0.39
CTSS P25774 2/20 0.39
CTSL P07711 1/20 0.39
ELANE P08246 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
SCN9A Q15858 1/20 0.37
IDO1 P14902 1/20 0.36
PDK2 Q15119 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL8375026 0.87 RAB9A (0.43) RAB9ALMNAHPGDCTSKCTSS
SCHEMBL8375760 0.84 IDO1 (0.43) CA12CA1CA2CA9SCN9A
SCHEMBL8377409 0.83 PDK2 (0.41) LMNAHPGDCA12CA1CA2
SCHEMBL8375796 0.82 ADORA2A (0.43) RAB9AHPGDCA12CA1CA2
SCHEMBL8377351 0.81 CA12 (0.40) CA12CA1CA2CA9SCN9A
SCHEMBL8376442 0.80 LMNA (0.40) LMNAHPGDCA12CA1CA2
SCHEMBL8378805 0.80 IDO1 (0.42) RAB9ALMNACA12CA1CA2
SCHEMBL8377390 0.79 IDO1 (0.46) HPGDCA12CA1CA2CA9
SCHEMBL8377384 0.77 SCN9A (0.41) CA12CA1CA2CA9SCN9A
SCHEMBL8377356 0.77 S1PR1 (0.44) CA12CA1CA2CA9SCN9A

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
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed