SCHEMBL6693631

SCHEMBL6693631

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.44
PLA2G2A P14555 6/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
P2RX7 Q99572 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
SLC2A1 P11166 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR2 P41597 1/20 0.39
KDM4E B2RXH2 1/20 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
TP53 P04637 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
SCHEMBL5207833 0.91 HDAC1 (0.51) HDAC1HDAC6SMN1; SMN2KDM4ECSNK2A2
SCHEMBL6694057 0.89 MAPT (0.45) HDAC1HDAC6MAPTPOLBSMN1; SMN2
SCHEMBL6693334 0.89 HDAC1 (0.43) HDAC1HDAC6MAPTPOLBPTGS1
SCHEMBL6691868 0.89 HDAC1 (0.47) HDAC1HDAC6MAPTPOLBPLA2G2A
SCHEMBL6782203 0.89 HDAC1 (0.45) HDAC1HDAC6P2RX7CSNK2A2CSNK2B
SCHEMBL6775629 0.88 HDAC1 (0.44) HDAC1HDAC6PLA2G2AP2RX7CSNK2A2
SCHEMBL6780169 0.88 HDAC1 (0.44) HDAC1HDAC6P2RX7CSNK2A2CSNK2B
SCHEMBL6773523 0.86 HDAC1 (0.47) HDAC1HDAC6PTGS1PTGS2P2RX7
SCHEMBL6691809 0.86 HDAC1 (0.44) HDAC1HDAC6MAPTPTGS1PTGS2
SCHEMBL6691715 0.86 FABP4 (0.47) HDAC1HDAC6SMN1; SMN2KDM4ETP53

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