SCHEMBL4551058

SCHEMBL4551058

CCCn1c(COCC)nc2cnc3ccc(OCC4CCCO4)cc3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
MIF P14174 1/20 0.40
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.38
GPR84 Q9NQS5 4/20 0.38
LRRK2 Q5S007 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL4241578 0.85 TLR7 (0.49) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL4237682 0.81 TLR7 (0.39) LRRK2
SCHEMBL1486756 0.79 NMT1 (0.44) MEN1KMT2ASMN1; SMN2TP53TSHR
SCHEMBL4762062 0.77 TLR7 (0.49) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL1486683 0.77 TLR8 (0.36) MEN1KMT2ATP53LRRK2TSHR
SCHEMBL4239830 0.76 ACSS2 (0.39) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL4243714 0.75 SMN1; SMN2 (0.39) ALDH1A1KDM4ESMN1; SMN2HSD17B10FGFR1
SCHEMBL5807421 0.75 MEN1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL5807942 0.74 HTR1A (0.39) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL4541234 0.73 MAPT (0.44) MEN1KMT2ASMN1; SMN2MAPTTSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673087-A4 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 EP disclosed
EP-1673087-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-06-28 EP disclosed
WO-2005032484-A9 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2006-05-18 WO disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 WO disclosed