SCHEMBL8327113

SCHEMBL8327113

CCCC(CCC=O)Cc1c(CC)cc2c(OCc3ccccc3)cccn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.36
ATP4B P51164 3/20 0.36
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 1/20 0.34
MAPK14 Q16539 3/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33

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
SCHEMBL7014249 0.93 ATP4A (0.40) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL7011597 0.78 ATP4A (0.44) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL7014264 0.76 PLA2G1B (0.42) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL7006186 0.75 PLA2G1B (0.48) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL7006657 0.74 PLA2G1B (0.39) ATP4AATP4BMAPK14PLA2G1BPTGER1
SCHEMBL7013631 0.74 ATP4A (0.42) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL7010964 0.73 PLA2G1B (0.47) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL8321751 0.73 L3MBTL1 (0.46) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL7011801 0.72 PLA2G1B (0.45) ATP4AATP4BMAPK1MEN1CYP1A2
SCHEMBL7014295 0.72 PLA2G1B (0.49) ATP4AATP4BMAPK1MEN1CYP1A2

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
EP-0772596-A4 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 1999-01-13 EP disclosed
EP-0772596-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed