SCHEMBL9252018

SCHEMBL9252018

c1cc(OCCOCCNC2CC2)cc(-c2ccsc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOXM1 Q08050 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRMT6 Q96LA8 1/20 0.38
PPARD Q03181 1/20 0.37
KDR P35968 1/20 0.37
TSHR P16473 1/20 0.37
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9251814 0.81 TSHR (0.46) KDM4EALDH1A1PRMT6KDRTSHR
SCHEMBL9259837 0.80 PRMT6 (0.40) KDM4ETDP1PRMT6PPARDKDR
SCHEMBL9253740 0.80 CNR2 (0.46) SMN1; SMN2PPARDDRD2DRD4CYP1A2
SCHEMBL9255428 0.80 TSHR (0.45) KDM4EPRMT6PPARDKDRTSHR
SCHEMBL9169905 0.79 TSHR (0.42) KDM4EALDH1A1TDP1PRMT6PPARD
SCHEMBL9251002 0.79 SLC9A3 (0.41) KDM4ETDP1PRMT6KDRHTR1A
SCHEMBL9255273 0.79 PRMT6 (0.40) KDM4ETDP1PRMT6PPARDKDR
SCHEMBL9174629 0.74 PRMT6 (0.39) PRMT6PPARDKDRHTR1ADRD2
SCHEMBL9257607 0.74 ALDH1A1 (0.47) ALDH1A1PRMT6PPARDKDRHTR1A
SCHEMBL9260900 0.73 LTB4R (0.45) PPARD

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