SCHEMBL6689259

SCHEMBL6689259

COC(=O)c1cccc2c1c1c(n2Cc2c(F)cccc2F)CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.36
FABP4 P15090 2/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX7 Q99572 1/20 0.35
FABP3 P05413 1/20 0.35
GNRHR P30968 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL6693115 0.91 FABP3 (0.45) HDAC1HDAC6KDM4EALDH1A1MAPT
SCHEMBL6693351 0.90 HDAC1 (0.39) HDAC1HDAC6KDM4EKMT2AFABP4
SCHEMBL6693538 0.88 HDAC1 (0.42) HDAC1HDAC6KDM4EALDH1A1MAPT
SCHEMBL5207833 0.85 HDAC1 (0.51) HDAC1HDAC6KDM4EKMT2AFABP4
SCHEMBL6691868 0.85 HDAC1 (0.47) HDAC1HDAC6ALDH1A1MAPTFABP4
SCHEMBL6689321 0.84 HDAC1 (0.42) HDAC1HDAC6KDM4EALDH1A1MAPT
SCHEMBL6774729 0.84 HDAC1 (0.45) HDAC1HDAC6KDM4EALDH1A1TSHR
SCHEMBL6691809 0.83 HDAC1 (0.44) HDAC1HDAC6KDM4EMAPTGAA
SCHEMBL6694051 0.83 HDAC1 (0.44) HDAC1HDAC6KDM4EALDH1A1MAPT
SCHEMBL6691602 0.82 FABP3 (0.47) HDAC1HDAC6KDM4EALDH1A1MAPT

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