SCHEMBL4654936

SCHEMBL4654936

S=C(SC1CNCCO1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 4/20 0.46
▸ MGLL Q99685 3/20 0.46
▸ PDK2 Q15119 2/20 0.46
▸ PDK3 Q15120 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ FAAH O00519 1/20 0.46
▸ PHGDH O43175 1/20 0.46
▸ ALDH2 P05091 1/20 0.46
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL11563096 0.74 DRD2 (0.30) —
SCHEMBL27924629 0.73 SLC6A2 (0.30) —
SCHEMBL4654941 0.70 SSTR4 (0.33) —
SCHEMBL27130180 0.69 MGLL (0.43) MGLL
SCHEMBL27260255 0.66 SSTR4 (0.35) —
SCHEMBL11563092 0.66 SSTR4 (0.32) —
SCHEMBL29141224 0.66 — —
SCHEMBL15408885 0.66 SSTR4 (0.38) CA12CA1CA9SMN1; SMN2
SCHEMBL3137095 0.66 MGLL (0.31) PDK1MGLLPDK2PDK3ALDH1A1
SCHEMBL25460412 0.66 — —

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-1226040-B1 TIRE FOR VEHICLES HAVING A HIGH WEAR RESISTANCE AND VULCANIZABLE RUBBER COMPOSITION FOR MAKING THE SAME PIRELLI (IT) 2008-11-19 — — EP claimed
US-4587296-A IMPROVED RETENTION OF PHYSICAL PROPERTIES MONSANTO EUROPE, S.A. (BE) 1986-05-06 — — US disclosed
US-4417012-A DIENE RUBBER MONSANTO EUROPE S.A. (BE) 1983-11-22 — — US disclosed
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