SCHEMBL6690258

SCHEMBL6690258

NC(=O)c1cccc(OCCCNCC(c2ccccc2)c2cccc(Cc3cccc4c3OCO4)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.40
ABCB1 P08183 2/20 0.40
MAOB P27338 3/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 5/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
F10 P00742 1/20 0.37
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
CHRM2 P08172 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6567211 0.78 RAB9A (0.42) NR1H3MAOBRAB9ASMN1; SMN2NPC1
SCHEMBL6512194 0.76 NR1H3 (0.60) NR1H3SMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL6936421 0.75 NR1H3 (0.49) NR1H3ALDH1A1OPRM1OPRK1
SCHEMBL4086901 0.69 ALOX15 (0.56) NR1H3MAOBRAB9AKDM4ELMNA
SCHEMBL4086772 0.67 KDM4E (0.52) NR1H3MAOBRAB9AKDM4ELMNA
SCHEMBL6566919 0.65 NR1H3 (0.44) NR1H3MAOBRAB9ASMN1; SMN2NPC1
SCHEMBL203431 0.65 PRSS1 (0.67) F10KMT2AOPRM1OPRD1
SCHEMBL204344 0.64 NR4A2 (0.56) KMT2AOPRM1OPRD1OPRK1KCNH2
SCHEMBL30344364 0.64 PARP1 (0.57) SMN1; SMN2KDM4ELMNAF10ALDH1A1
SCHEMBL7451728 0.64 SIRT2 (0.60) MAOBF10KMT2AOPRM1OPRD1

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
JP-2004509161-A 2004-03-25 JP claimed
EP-1318976-A2 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LIMITED (GB) 2003-06-18 EP claimed
WO-2002024632-A2 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LIMITED (GB) 2002-03-28 WO claimed