SCHEMBL8440916

SCHEMBL8440916

CCOC(=O)C1=C(C)OCCS1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 9/20 0.43
MEN1 O00255 7/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 3/20 0.42
RAB9A P51151 5/20 0.40
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL3760345 0.80 HDAC4 (0.36) MAPK1HSD17B10KMT2AMEN1NPC1
SCHEMBL669565 0.79 GAA (0.45) MAPK1HSD17B10KMT2AMEN1MAPT
SCHEMBL7833221 0.76 MAPK1 (0.57) MAPK1HSD17B10KMT2AMEN1NPC1
SCHEMBL669568 0.74 ALDH1A1 (0.41) MAPK1HSD17B10KMT2AMEN1POLB
SCHEMBL3967541 0.74 MAPK1 (0.51) MAPK1HSD17B10KMT2AMEN1NPC1
SCHEMBL3805634 0.74 MAPK1 (0.51) MAPK1HSD17B10KMT2AMEN1NPC1
SCHEMBL9198342 0.74 KMT2A (0.70) MAPK1HSD17B10KMT2AMEN1NPC1
SCHEMBL9198161 0.74 KMT2A (0.64) MAPK1HSD17B10KMT2AMEN1NPC1
SCHEMBL8930247 0.71 MAPK1 (0.60) MAPK1HSD17B10KMT2AMEN1NPC1
SCHEMBL11632785 0.71 GAA (0.43) MAPK1HSD17B10KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869427-A Substituted thiophene derivative and plant disease control agent comprising the same as active ingredient MITSUI CHEMICALS, INC. (JP) 1999-02-09 US disclosed
EP-0841336-A1 Substituted thiopene derivative and plant disease control agent comprising the same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-05-13 EP disclosed
US-5693827-A Treatment of HIV infections and compounds useful therein UNIROYAL CHEMICAL COMPANY, INC. 1997-12-02 US disclosed
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP disclosed
US-5268389-A Containing a benzene ring UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-12-07 US disclosed
EP-0497816-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. UNIROYAL CHEMICAL LTD (CA) 1992-08-12 EP disclosed
WO-1991005761-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-05-02 WO disclosed
US-4230871-A Process for preparing 5,6-dihydro-2-methyl-1,4-oxathiin derivatives LEE WHA S 1980-10-28 US disclosed
US-4189435-A Process for preparing 5,6-dihydro-2-methyl-1,4-oxathiin derivatives LEE WHA S (CA) 1980-02-19 US disclosed
US-4152334-A Process for preparing 5,6-dihydro-2-methyl-1,4-oxathiin derivatives LEE WHA S 1979-05-01 US disclosed