SCHEMBL6689321

SCHEMBL6689321

COC(=O)c1cccc2c1c1c(n2Cc2ccccc2C)CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FABP4 P15090 1/20 0.40
LMNA P02545 4/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PLA2G2A P14555 1/20 0.38
HTT P42858 4/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL6774729 0.90 HDAC1 (0.45) HDAC1HDAC6ALDH1A1MEN1KMT2A
SCHEMBL6688522 0.89 HDAC1 (0.43) HDAC1HDAC6ALDH1A1MAPTNPSR1
SCHEMBL6693115 0.89 FABP3 (0.45) HDAC1HDAC6ALDH1A1MEN1KMT2A
SCHEMBL6694051 0.89 HDAC1 (0.44) HDAC1HDAC6ALDH1A1MEN1KMT2A
SCHEMBL6691242 0.88 HDAC1 (0.46) HDAC1HDAC6MAPTKDM4EFABP4
SCHEMBL5207833 0.88 HDAC1 (0.51) HDAC1HDAC6MEN1KMT2AKDM4E
SCHEMBL6775399 0.87 PLA2G2A (0.42) HDAC1HDAC6MEN1KMT2AFABP4
SCHEMBL6691602 0.86 FABP3 (0.47) HDAC1HDAC6ALDH1A1MAPTKDM4E
SCHEMBL6690363 0.86 DPP4 (0.41) HDAC1HDAC6ALDH1A1NPSR1FABP4
SCHEMBL6693351 0.86 HDAC1 (0.39) HDAC1HDAC6KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950657-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitors LILLY CO ELI (US) 2004-07-14 EP disclosed
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
EP-0950657-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1999-10-20 EP disclosed