SCHEMBL9256741

SCHEMBL9256741

CC(COc1cccc(-c2ccsc2)c1)OCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CTSA P10619 4/20 0.39
SLC6A9 P48067 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
LTB4R Q15722 2/20 0.38
PRMT6 Q96LA8 1/20 0.38
PPARD Q03181 3/20 0.37
FFAR1 O14842 2/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37

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
SCHEMBL9261099 0.84 LMNA (0.53) LMNARXRARXRBLTB4RPPARD
SCHEMBL9254650 0.83 HTR1A (0.40) SLC6A9LTB4RPRMT6HSD17B1HSD17B2
SCHEMBL9259713 0.80 LMNA (0.50) LMNAPRMT6HSD17B1HSD17B2
SCHEMBL9260900 0.78 LTB4R (0.45) LMNACTSASLC6A9RXRARXRB
SCHEMBL9256522 0.77 PRMT6 (0.48) LMNASLC6A9RXRARXRBPRMT6
SCHEMBL9255957 0.75 HTR1A (0.40) CTSASLC6A9LTB4RPRMT6PPARD
SCHEMBL9255816 0.74 LTB4R (0.43) CTSASLC6A9RXRARXRBLTB4R
SCHEMBL9258419 0.74 P2RX3 (0.44) CTSASLC6A9LTB4RPRMT6PPARD
SCHEMBL9258359 0.73 F9 (0.54) RXRARXRB
SCHEMBL30963937 0.72 RXRA (0.51) CTSARXRARXRBPRMT6

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