SCHEMBL6691809

SCHEMBL6691809

COC(=O)c1cccc2c1c1c(n2Cc2cc(C)cc(C)c2)CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RX7 Q99572 6/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CSNK2A2 P19784 2/20 0.37
CSNK2B P67870 2/20 0.37
CSNK2A1 P68400 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
HPD P32754 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL6694057 0.93 MAPT (0.45) HDAC1HDAC6GAANPSR1L3MBTL1
SCHEMBL5207833 0.89 HDAC1 (0.51) HDAC1HDAC6SMN1; SMN2CSNK2A2CSNK2B
SCHEMBL6693631 0.86 HDAC1 (0.45) HDAC1HDAC6MAPTSMN1; SMN2P2RX7
SCHEMBL6693334 0.86 HDAC1 (0.43) HDAC1HDAC6MAPTP2RX7PTGS1
SCHEMBL6691868 0.86 HDAC1 (0.47) HDAC1HDAC6GAAL3MBTL1MAPT
SCHEMBL6773523 0.86 HDAC1 (0.47) HDAC1HDAC6P2RX7PTGS1PTGS2
SCHEMBL6782203 0.86 HDAC1 (0.45) HDAC1HDAC6P2RX7CSNK2A2CSNK2B
SCHEMBL6780169 0.85 HDAC1 (0.44) HDAC1HDAC6P2RX7CSNK2A2CSNK2B
SCHEMBL6775629 0.85 HDAC1 (0.44) HDAC1HDAC6P2RX7CSNK2A2CSNK2B
SCHEMBL6689321 0.85 HDAC1 (0.42) HDAC1HDAC6GAANPSR1L3MBTL1

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-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed