SCHEMBL6774729

SCHEMBL6774729

COC(=O)c1cccc2c1c1c(n2Cc2ccccc2Br)CCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
CSNK2A2 P19784 3/20 0.39
CSNK2B P67870 3/20 0.39
CSNK2A1 P68400 3/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
ALDH1A1 P00352 4/20 0.39
FABP4 P15090 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
BUB1 O43683 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL6689321 0.90 HDAC1 (0.42) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1
SCHEMBL6694051 0.89 HDAC1 (0.44) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1
SCHEMBL6693115 0.89 FABP3 (0.45) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1
SCHEMBL6691242 0.88 HDAC1 (0.46) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1
SCHEMBL5207833 0.88 HDAC1 (0.51) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1
SCHEMBL6688522 0.87 HDAC1 (0.43) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1
SCHEMBL6775399 0.87 PLA2G2A (0.42) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1
SCHEMBL6690363 0.86 DPP4 (0.41) HDAC1HDAC6ALDH1A1FABP4TSHR
SCHEMBL6691602 0.86 FABP3 (0.47) HDAC1HDAC6ALDH1A1FABP4TSHR
SCHEMBL6693351 0.86 HDAC1 (0.39) HDAC1HDAC6CSNK2A2CSNK2BCSNK2A1

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