SCHEMBL9766515

SCHEMBL9766515

CCN1CCCCC(C(C)(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ INMT O95050 2/20 0.32
▸ CHRNA7 P36544 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 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
SCHEMBL14749921 0.87 PIK3CD (0.35) GAAL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL17517145 0.87 PIK3CD (0.35) GAAL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL28354691 0.76 TSHR (0.32) ALDH1A1TSHRHTT
SCHEMBL13036914 0.76 BRD4 (0.35) ALDH1A1
SCHEMBL1527372 0.74 CYP3A4 (0.39) GAAL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL13156797 0.74 ENO1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1527371 0.74 CYP3A4 (0.39) GAAL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL13434939 0.74 DPP4 (0.31) ALDH1A1
SCHEMBL14025940 0.74 PER2 (0.40) GAAL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL4704959 0.74 CYP3A4 (0.39) GAAL3MBTL1CHRM2CHRM4CHRM5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5003082-A Reacting a lactam with hydrogen sulfide in the presence of an inorganic catalyst PHILLIPS PETROLEUM COMPANY (US) 1991-03-26 — — US disclosed
US-4990628-A Reacting lactam with hydrogen sulfide in presence of group 8 metals or compounds on alumina; support; sulfiding PHILLIPS PETROLEUM COMPANY (US) 1991-02-05 — — US disclosed
US-4956476-A Catalytic reaction of a lactam with hydrogen sulfide to produce a thiolactam, alumina is the catalyst PHILLIPS PETROLEUM COMPANY (US) 1990-09-11 — — US disclosed
US-4145352-A SULFACTIVE CATALYST PHILLIPS PETROLEUM COMPANY (US) 1979-03-20 — — US disclosed
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