SCHEMBL27655296

SCHEMBL27655296

COC(=O)c1cc2c(cc1N)CCC2N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
CFTR P13569 4/20 0.45
ABL1 P00519 1/20 0.45
GAA P10253 4/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
ACHE P22303 8/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL803162 0.85 ACHE (0.42) KDM4EALDH1A1CFTRABL1HSD17B10
Hydrochloric Acid SCHEMBL484839 0.84 ACHE (0.44) ALDH1A1CFTRABL1HSD17B10HPGD
Hydrochloric Acid SCHEMBL484838 0.84 ACHE (0.44) ALDH1A1CFTRABL1HSD17B10HPGD
SCHEMBL803251 0.82 ACHE (0.42) ALDH1A1CFTRABL1HSD17B10HPGD
Hydrochloric Acid SCHEMBL785262 0.81 ACHE (0.44) ALDH1A1CFTRABL1HSD17B10HPGD
Hydrochloric Acid SCHEMBL785261 0.81 ACHE (0.44) ALDH1A1CFTRABL1HSD17B10HPGD
SCHEMBL2479188 0.79 KDM4E (0.47) KDM4EALDH1A1CFTRABL1GAA
SCHEMBL13131186 0.77 ACHE (0.45) ALDH1A1CFTRABL1HSD17B10HPGD
Hydrochloric Acid SCHEMBL15226690 0.76 ACHE (0.44) ALDH1A1CFTRHSD17B10HPGDACHE
Hydrochloric Acid SCHEMBL2816232 0.76 ACHE (0.44) ALDH1A1CFTRHSD17B10HPGDACHE

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
CN-1972932-B Compounds for the treatment of dyslipidemia LILLY CO ELI 2011-06-29 CN disclosed
CN-1972932-A Compounds and methods for treating dyslipidemia LILLY CO ELI (US) 2007-05-30 CN disclosed
CN-1863778-A Compounds and methods for treating dyslipidemia LILLY CO ELI (US) 2006-11-15 CN disclosed