SCHEMBL11282002

SCHEMBL11282002

CC1CCN(C(=O)SC(C)(C)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.53
▸ GAA P10253 2/20 0.49
▸ GRM5 P41594 2/20 0.48
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.41

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
SCHEMBL11221785 0.84 SMN1; SMN2 (0.46) GAAHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL11276287 0.83 HPGD (0.51) GAAHPGDSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL11275087 0.83 HPGD (0.46) GAAHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL55223 0.83 HPGD (0.46) GAAHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL11280415 0.81 RIPK1 (0.39) ACHEGAAGRM5CYP2C9CYP2C19
SCHEMBL9292283 0.81 SIGMAR1 (0.49) HPGDSMN1; SMN2ALDH1A1HSD17B10CHRM3
SCHEMBL11278852 0.76 HPGD (0.49) GAAHPGDSMN1; SMN2ALDH1A1HSD17B10
Endothall SCHEMBL4963604 0.76 TFPI2 (0.47) SMN1; SMN2ALDH1A1LMNA
SCHEMBL6647193 0.75 ACHE (0.54) ACHEGAAGRM5CYP2C9CYP2C19
SCHEMBL20618549 0.73 ACHE (0.55) ACHEGAAGRM5HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4343737-A Process for production of thiolcarbamates and the thiolcarbamates obtained by said process MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1982-08-10 — — US disclosed
US-4298740-A REACTION OF TERTIARY HALOGEN COMPOUND WITH THIOLCARBAMIC ACID SALT MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1981-11-03 — — US disclosed
Send feedback