SCHEMBL6694057

SCHEMBL6694057

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
THRB P10828 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
FABP4 P15090 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6691809 0.93 HDAC1 (0.44) MAPTTHRBSMN1; SMN2HDAC1HDAC6
SCHEMBL5207833 0.90 HDAC1 (0.51) SMN1; SMN2HDAC1HDAC6MEN1KMT2A
SCHEMBL6782203 0.89 HDAC1 (0.45) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1
SCHEMBL6693334 0.89 HDAC1 (0.43) MAPTHDAC1HDAC6KDM4EPOLB
SCHEMBL6693631 0.89 HDAC1 (0.45) MAPTSMN1; SMN2HDAC1HDAC6KDM4E
SCHEMBL6691868 0.89 HDAC1 (0.47) MAPTHDAC1HDAC6ALDH1A1L3MBTL1
SCHEMBL6775629 0.89 HDAC1 (0.44) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1
SCHEMBL6780169 0.89 HDAC1 (0.44) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1
SCHEMBL6773523 0.87 HDAC1 (0.47) HDAC1HDAC6KMT2ACSNK2A2CSNK2B
SCHEMBL6691715 0.87 FABP4 (0.47) SMN1; SMN2HDAC1HDAC6ALDH1A1KMT2A

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