SCHEMBL9871267

SCHEMBL9871267

CC(C(=S)N1CCOCC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.49
▸ FAAH O00519 2/20 0.49
▸ NCOA3 Q9Y6Q9 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 3/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PHGDH O43175 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TSHR P16473 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4765398 0.83 SMN1; SMN2 (0.44) MGLLFAAHALDH1A1MAPTCYP2C19
SCHEMBL9528416 0.83 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL4913725 0.80 TSHR (0.67) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL8601502 0.76 PHGDH (0.59) MGLLFAAHNCOA3ALDH1A1MAPT
SCHEMBL13433496 0.76 PKM (0.49) MGLLFAAHNCOA3ALDH1A1MAPT
SCHEMBL10458916 0.72 CA12 (0.50) MGLLFAAHALDH1A1MAPTPHGDH
Morpholino(Phenyl)Methanethione SCHEMBL9180076 0.71 MGLL (0.79) MGLLFAAHNCOA3ALDH1A1MAPT
SCHEMBL8662309 0.70 TSHR (0.56) MGLLFAAHNCOA3ALDH1A1PHGDH
SCHEMBL27544096 0.70 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL10154719 0.70 SMN1; SMN2 (0.57) ALDH1A1MAPTNPSR1MEN1KMT2A

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-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 — — EP claimed
US-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 — — US disclosed
EP-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 — — EP disclosed
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