SCHEMBL6782203

SCHEMBL6782203

COC(=O)c1cccc2c1c1c(n2Cc2cccc(Br)c2)CCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
P2RX7 Q99572 3/20 0.41
HPD P32754 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MAPK8 P45983 3/20 0.39
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
CSNK2A1 P68400 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
FABP4 P15090 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 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 0.89 MAPT (0.45) HDAC1HDAC6MAPK8CSNK2A2CSNK2B
SCHEMBL5207833 0.89 HDAC1 (0.51) HDAC1HDAC6MAPK8CSNK2A2CSNK2B
SCHEMBL6693334 0.89 HDAC1 (0.43) HDAC1HDAC6P2RX7CSNK2A2CSNK2B
SCHEMBL6691868 0.89 HDAC1 (0.47) HDAC1HDAC6P2RX7PDE3BPDE3A
SCHEMBL6693631 0.89 HDAC1 (0.45) HDAC1HDAC6P2RX7CSNK2A2CSNK2B
SCHEMBL6775629 0.88 HDAC1 (0.44) HDAC1HDAC6P2RX7MAPK8CSNK2A2
SCHEMBL6780169 0.88 HDAC1 (0.44) HDAC1HDAC6P2RX7PDE3BPDE3A
SCHEMBL6773523 0.86 HDAC1 (0.47) HDAC1HDAC6P2RX7CSNK2A2CSNK2B
SCHEMBL6691809 0.86 HDAC1 (0.44) HDAC1HDAC6P2RX7HPDCSNK2A2
SCHEMBL6691715 0.86 FABP4 (0.47) HDAC1HDAC6FABP4

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-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