SCHEMBL7831971

SCHEMBL7831971

O=C(CCCCC1CCSS1)N1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.73
▸ KMT2A Q03164 3/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ TARDBP Q13148 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ NR1I2 O75469 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ THRB P10828 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ ACHE P22303 1/20 0.60
▸ APEX1 P27695 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ PMP22 Q01453 1/20 0.60
▸ SAE1 Q9UBE0 1/20 0.60

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
SCHEMBL12245628 1.00 SIGMAR1 (0.73) SIGMAR1KMT2AL3MBTL1HSD17B10TARDBP
SCHEMBL7842968 0.98 SIGMAR1 (0.70) SIGMAR1KMT2AL3MBTL1HSD17B10TARDBP
SCHEMBL7842810 0.88 SIGMAR1 (0.65) SIGMAR1KMT2AL3MBTL1HSD17B10TARDBP
SCHEMBL2380388 0.86 SIGMAR1 (0.62) SIGMAR1KMT2AL3MBTL1HSD17B10TARDBP
SCHEMBL12245575 0.86 SIGMAR1 (0.62) SIGMAR1KMT2AL3MBTL1HSD17B10TARDBP
SCHEMBL12245576 0.86 SIGMAR1 (0.66) SIGMAR1KMT2AL3MBTL1HSD17B10TARDBP
Hydrochloric Acid SCHEMBL7841651 0.86 SIGMAR1 (0.62) SIGMAR1KMT2AL3MBTL1HSD17B10TARDBP
SCHEMBL15894790 0.86 SIGMAR1 (0.62) SIGMAR1KMT2AL3MBTL1HSD17B10TARDBP
SCHEMBL15877963 0.86 SIGMAR1 (0.62) SIGMAR1KMT2AL3MBTL1HSD17B10TARDBP
SCHEMBL2380386 0.86 SIGMAR1 (0.62) SIGMAR1KMT2AL3MBTL1HSD17B10TARDBP

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-6313164-B1 TO ENHANCE THE ACTIVITY OF GLUTATHIONE RECLUCTASE; FOR THERAPY AND PROPHYLAXIS OF CARTARACTS SANKYO COMPANY, LIMITED (JP) 2001-11-06 — — US disclosed
EP-1070710-A2 Dithiolan derivatives, their preparation and their therapeutic effect Sankyo Company Limited (JP) 2001-01-24 — — EP disclosed
US-6013663-A CATARACT THERAPY OR PREVENTION SANKYO COMPANY, LIMITED (JP) 2000-01-11 — — US disclosed
EP-0869126-A1 Dithiolan derivatives, their preparation and their therapeutic effect Sankyo Company Limited (JP) 1998-10-07 — — EP disclosed
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