SCHEMBL11267680

SCHEMBL11267680

COc1ccc(C(C)(C)SC(=O)N2CCCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ HTT P42858 3/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ ALDH1A1 P00352 7/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ TP53 P04637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL11278570 0.84 HPGD (0.47) HPGDSMN1; SMN2HTTMAPTNPC1
SCHEMBL11268727 0.82 SMN1; SMN2 (0.44) HPGDSMN1; SMN2HTTMAPTNPC1
SCHEMBL11275087 0.82 HPGD (0.46) HPGDSMN1; SMN2HTTMAPTNPC1
SCHEMBL55223 0.82 HPGD (0.46) HPGDSMN1; SMN2HTTMAPTNPC1
SCHEMBL11221785 0.80 SMN1; SMN2 (0.46) HPGDSMN1; SMN2HTTMAPTNPC1
SCHEMBL11281153 0.78 LMNA (0.51) HPGDSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL11715776 0.72 HPGD (0.53) HPGDSMN1; SMN2HTTALOX15MAPT
SCHEMBL11713719 0.71 KMT2A (0.54) HPGDSMN1; SMN2HTTALOX15MAPT
SCHEMBL2535536 0.70 HPGD (0.96) HPGDSMN1; SMN2HTTALOX15MAPT
SCHEMBL27723918 0.70 ALDH1A1 (0.82) HPGDSMN1; SMN2HTTALOX15MAPT

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
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