SCHEMBL9259547

SCHEMBL9259547

O=CCCOc1cccc(-c2ccsc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.44
PPARD Q03181 1/20 0.40
CYP2A6 P11509 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2B6 P20813 1/20 0.40
KDR P35968 1/20 0.39
ERN1 O75460 2/20 0.39
HTR1A P08908 1/20 0.39
LTB4R Q15722 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
MC4R P32245 1/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
LTA4H P09960 1/20 0.37
PTPRC P08575 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
SCHEMBL9258741 0.90 HTR1A (0.41) PRMT6PPARDKDRERN1HTR1A
SCHEMBL9253601 0.85 PRMT6 (0.43) PRMT6PPARDCYP2A6CYP2E1CYP2B6
SCHEMBL9174629 0.85 PRMT6 (0.39) PRMT6PPARDCYP2A6CYP2E1CYP2B6
SCHEMBL9254796 0.82 PRMT6 (0.39) PRMT6PPARDCYP2A6CYP2E1CYP2B6
SCHEMBL9254793 0.82 PRMT6 (0.39) PRMT6PPARDCYP2A6CYP2E1CYP2B6
SCHEMBL9257607 0.82 ALDH1A1 (0.47) PRMT6PPARDCYP2A6CYP2E1CYP2B6
SCHEMBL9258901 0.82 LTB4R (0.41) PPARDLTB4RMC4RHDAC1HDAC2
SCHEMBL9258896 0.82 LTB4R (0.41) PPARDLTB4RMC4RHDAC1HDAC2
SCHEMBL9254689 0.82 PRMT6 (0.40) PRMT6PPARDCYP2A6CYP2E1CYP2B6
SCHEMBL5254178 0.82 LTA4H (0.53) PPARDHDAC1HDAC2HDAC8HDAC6

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