SCHEMBL4812561

SCHEMBL4812561

CC(C)(C)OC(=O)NCC1CCCC(N=C=S)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.38
▸ CTSS P25774 2/20 0.37
▸ CTSK P43235 2/20 0.37
▸ ACACB O00763 5/20 0.37
▸ ACACA Q13085 3/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ BTK Q06187 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NAMPT P43490 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ GAA P10253 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
SCHEMBL4815317 0.84 KMT2A (0.44) EPHX1CTSSCTSKACACBACACA
SCHEMBL4815309 0.84 KMT2A (0.44) EPHX1CTSSCTSKACACBACACA
SCHEMBL6647123 0.82 EPHX1 (0.48) EPHX1CTSSCTSKACACBACACA
SCHEMBL228180 0.79 EPHX1 (0.50) EPHX1CTSSCTSKACACBACACA
SCHEMBL14548191 0.77 EPHX1 (0.43) EPHX1CTSSCTSKACACBACACA
SCHEMBL30772783 0.77 EPHX1 (0.43) EPHX1CTSSCTSKACACBACACA
SCHEMBL13579957 0.77 KMT2A (0.44) EPHX1CTSSCTSKACACBACACA
SCHEMBL13579951 0.77 EPHX1 (0.43) EPHX1CTSSCTSKACACBACACA
SCHEMBL13781382 0.77 KMT2A (0.44) EPHX1CTSSCTSKACACBACACA
SCHEMBL7817045 0.77 EPHX1 (0.43) EPHX1CTSSCTSKACACBACACA

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
WO-2008134228-A1 BENZOXAZOLE COMPOUNDS H. LUNDBECK A/S (DK) 2008-11-06 — — WO disclosed
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