SCHEMBL9257835

SCHEMBL9257835

O=C(O)/C=C/C=C/c1ccsc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.45
ALOX5 P09917 3/20 0.44
CYP1A2 P05177 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MASP2 O00187 1/20 0.42
F2 P00734 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
JAK2 O60674 1/20 0.40

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
SCHEMBL9257838 1.00 GUSB (0.45) GUSBALOX5CYP1A2HSD17B10TAS1R3
SCHEMBL1126747 0.86 HCAR2 (0.54) GUSBALOX5HSD17B10TAS1R3TAS1R1
SCHEMBL12924107 0.86 HCAR2 (0.54) GUSBALOX5HSD17B10TAS1R3TAS1R1
SCHEMBL1126746 0.86 HCAR2 (0.54) GUSBALOX5HSD17B10TAS1R3TAS1R1
SCHEMBL10694740 0.79 TAS1R3 (0.40) GUSBALOX5TAS1R3TAS1R1HDAC3
SCHEMBL9329946 0.76 GUSB (0.54) GUSBALOX5CYP1A2TAS1R3TAS1R1
SCHEMBL9329953 0.76 GUSB (0.54) GUSBALOX5CYP1A2TAS1R3TAS1R1
SCHEMBL9336383 0.76 ALOX5 (0.47) GUSBALOX5TAS1R3TAS1R1JAK2
SCHEMBL9336376 0.76 ALOX5 (0.47) GUSBALOX5TAS1R3TAS1R1JAK2
SCHEMBL20539210 0.76 GUSB (0.50) GUSBALOX5TAS1R3TAS1R1JAK2

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
US-5439932-A Anticholesterol agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5306728-A Substituted amine derivatives having antihyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0448078-A2 Substituted amine derivatives having anti-hyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed