SCHEMBL8693255

SCHEMBL8693255

CC(C)(C)OC(=O)C(N)(Cc1cscn1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ CTSK P43235 2/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ SLC16A3 O15427 1/20 0.30
▸ SLC16A1 P53985 1/20 0.30
▸ MCTS1 Q9ULC4 1/20 0.30
▸ GPR142 Q7Z601 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
SCHEMBL26092373 0.77 BLM (0.31) SMN1; SMN2HIF1A
SCHEMBL19031974 0.76 ALOX5AP (0.41) GPR119MAPK1NPSR1KDM4CKDM4E
SCHEMBL21602032 0.75 PKM (0.37) SCN9AGPR119MAPK1NPSR1KDM4C
SCHEMBL3901063 0.75 SLC6A3 (0.37) GPR119MAPK1NPSR1KDM4CKDM4E
SCHEMBL27476791 0.74 CTSS (0.46) KDM4CKDM4ESMN1; SMN2HIF1ACTSK
SCHEMBL27997582 0.74 MAPK1 (0.36) GPR119MAPK1NPSR1KDM4CKDM4E
SCHEMBL27763466 0.72 MAPK1 (0.39) GPR119MAPK1NPSR1KDM4CKDM4E
SCHEMBL5459873 0.72 ALDH1A1 (0.36) PKMSMN1; SMN2HIF1AALOX5ALOX5AP
SCHEMBL27629811 0.72 ALDH1A1 (0.36) PKMSMN1; SMN2HIF1AALOX5ALOX5AP
SCHEMBL28800028 0.72 MEN1 (0.36) NPSR1SMN1; SMN2HIF1ACTSKCTSS

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
US-5756832-A REACTING AN ALDHYDE WITH AN ORTHOFORMATE IN THE PRESENCE OF AN ACID CATALYST AND AN ALCOHOL BRISTOL-MYERS SQUIBB CO. (US) 1998-05-26 — — US disclosed
US-5672599-A DUAL ACTION ANGIOTENSIN CONVERTING ENZYME INHIBITORS AND NEUTRAL ENDOPEPTIDASE INHIBITORS; TREATMENT OF CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-09-30 — — US disclosed
US-5670699-A Process for preparing amino acid esters useful as intermediates for compounds containing a fused bicyclic ring BRISTOL-MYERS SQUIBB CO. (US) 1997-09-23 — — US disclosed
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