SCHEMBL11847052

SCHEMBL11847052

O=C1CC(=S)C(=O)N1C1CCC(N2C(=O)CC(=S)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ OPRL1 P41146 9/20 0.33
▸ OPRM1 P35372 8/20 0.33
▸ OPRK1 P41145 8/20 0.33
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ DUSP3 P51452 1/20 0.31

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
SCHEMBL11835326 0.80 POLB (0.33) ALDH1A1POLBOPRL1OPRM1OPRK1
SCHEMBL11868542 0.67 LMNA (0.46) ALDH1A1TSHRPOLBOPRL1OPRM1
SCHEMBL11847056 0.65 POLB (0.35) ALDH1A1POLBOPRL1OPRM1OPRK1
SCHEMBL407251 0.64 LMNA (0.42) ALDH1A1TSHRPOLBOPRL1OPRM1
SCHEMBL8115295 0.64 ALDH1A1 (0.34) ALDH1A1TSHRPOLBOPRL1OPRM1
SCHEMBL3097311 0.64 — —
SCHEMBL2554375 0.63 OPRM1 (0.69) OPRL1OPRM1OPRK1
SCHEMBL11845647 0.62 SMN1; SMN2 (0.32) GAA
SCHEMBL11834925 0.60 ALDH1A1 (0.38) ALDH1A1GAAMAPTHPGD
SCHEMBL3422430 0.60 CYP2C9 (0.47) ALDH1A1TSHRPOLBOPRL1OPRM1

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
US-3974163-A VULCANIZATION INHIBITOR MONSANTO COMPANY (US) 1976-08-10 — — US disclosed
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