SCHEMBL6694479

SCHEMBL6694479

COC(=O)c1cccc2c1c1c(n2CC2CCCCC2)CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 2/20 0.40
MAPK8 P45983 1/20 0.40
CNR1 P21554 8/20 0.40
CNR2 P34972 8/20 0.40
PARP1 P09874 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 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
SCHEMBL6688988 0.99 ALDH1A1 (0.39) ALDH1A1KMT2AP2RX7MAPK8CNR1
SCHEMBL5207833 0.81 HDAC1 (0.51) KMT2AMAPK8KDM4E
SCHEMBL6689321 0.80 HDAC1 (0.42) ALDH1A1KMT2AKDM4E
SCHEMBL6689259 0.80 HDAC1 (0.40) ALDH1A1KMT2AP2RX7KDM4E
SCHEMBL6693538 0.80 HDAC1 (0.42) ALDH1A1KMT2AP2RX7KDM4EHPGD
SCHEMBL6774729 0.80 HDAC1 (0.45) ALDH1A1KMT2AP2RX7KDM4E
SCHEMBL15069289 0.79 PARP1 (0.43) ALDH1A1KMT2APARP1KDM4EHPGD
SCHEMBL6693115 0.79 FABP3 (0.45) ALDH1A1KMT2AKDM4E
SCHEMBL6691809 0.79 HDAC1 (0.44) P2RX7KDM4E
SCHEMBL6694051 0.79 HDAC1 (0.44) ALDH1A1KMT2AKDM4EHPGD

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