SCHEMBL8932045

SCHEMBL8932045

CC(C)CCCC(C(=O)Oc1ccccc1)(c1nn[nH]n1)n1cnc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APAF1 O14727 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
LTB4R Q15722 3/20 0.33
GAA P10253 1/20 0.32
ASAH1 Q13510 1/20 0.32
KMT2A Q03164 1/20 0.32
AGER Q15109 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8931961 0.77 AGTR1 (0.39) APAF1LTB4R2ALDH1A1
SCHEMBL8931904 0.67 AGTR1 (0.41) LTB4R2
SCHEMBL8931850 0.67 AGTR1 (0.41) LTB4R2
SCHEMBL8931810 0.66 AGTR1 (0.41) ASAH1LTB4R2
SCHEMBL8931908 0.64 AGTR1 (0.39) KMT2ALTB4R2CYP3A4ALDH1A1
SCHEMBL29145169 0.60 KMT2A (0.54) ALOX15HSD17B10MAPTSMN1; SMN2KDM4E
SCHEMBL29145145 0.59 SMN1; SMN2 (0.49) HSD17B10APAF1MAPTSMN1; SMN2LMNA
SCHEMBL10504076 0.59 ASAH1 (0.50) HSD17B10APAF1MAPTSMN1; SMN2LMNA
SCHEMBL10504808 0.59 ASAH1 (0.47) HSD17B10APAF1MAPTPOLBSMN1; SMN2
SCHEMBL14268957 0.59 ALDH1A1 (0.47) HSD17B10APAF1MAPTKDM4EASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed