SCHEMBL9254650

SCHEMBL9254650

CC(COc1cccc(-c2ccsc2)c1)OCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
PRMT6 Q96LA8 1/20 0.39
P2RX3 P56373 4/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KDR P35968 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
GAK O14976 1/20 0.34
SLC6A9 P48067 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MC4R P32245 1/20 0.34
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
LTB4R Q15722 1/20 0.33

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
SCHEMBL9257607 0.84 ALDH1A1 (0.47) HTR1APRMT6KDRCYP2E1CYP2A6
SCHEMBL9255957 0.84 HTR1A (0.40) HTR1APRMT6P2RX3KDRCYP2E1
SCHEMBL9256741 0.83 LMNA (0.40) PRMT6SLC6A9HSD17B1HSD17B2LTB4R
SCHEMBL9259713 0.82 LMNA (0.50) HTR1APRMT6P2RX3TSHRMAPK1
SCHEMBL9169905 0.78 TSHR (0.42) HTR1APRMT6P2RX3TSHRMAPK1
SCHEMBL30963937 0.74 RXRA (0.51) PRMT6CYP2E1CYP2A6CYP2B6GAK
SCHEMBL14408934 0.74 ALDH1A1 (0.57) HTR1AALDH1A1RECQL
SCHEMBL12251044 0.73 PRMT6 (0.47) HTR1APRMT6KDRCYP2E1CYP2A6
SCHEMBL9258419 0.73 P2RX3 (0.44) HTR1APRMT6P2RX3SLC6A9MC4R
SCHEMBL9258748 0.72 PRMT6 (0.43) HTR1APRMT6P2RX3KDRCYP2E1

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