SCHEMBL5989565

SCHEMBL5989565

CCOC(=O)/C=C/c1cnc(OCc2ccccc2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAP3K7 O43318 1/20 0.43
TAB1 Q15750 1/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43

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
SCHEMBL5989569 1.00 LMNA (0.45) LMNAMAPTCCNCCDK8HDAC8
SCHEMBL3688515 0.82 CA12 (0.55) LMNANPC1RAB9ACA12CA7
SCHEMBL3688513 0.82 CA12 (0.55) LMNANPC1RAB9ACA12CA7
SCHEMBL29550737 0.81 DPP4 (0.48) LMNAMAPTCCNCCDK8NPC1
SCHEMBL20439711 0.81 DPP4 (0.48) LMNAMAPTCCNCCDK8NPC1
SCHEMBL1549366 0.81 MEN1 (0.56) LMNAHDAC8MEN1HSP90AA1KMT2A
SCHEMBL1549368 0.81 MEN1 (0.56) LMNAHDAC8MEN1HSP90AA1KMT2A
SCHEMBL17032627 0.80 GABRA5 (0.47) LMNAMAPTNPC1RAB9AFFAR1
SCHEMBL16319027 0.79 MEN1 (0.53) LMNAHDAC8NPC1RAB9AMEN1
SCHEMBL16319026 0.79 MEN1 (0.53) LMNAHDAC8NPC1RAB9AMEN1

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-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed