SCHEMBL6894528

SCHEMBL6894528

COC(=O)c1cccc2c1c1c(O)cc(C)cc1n2Cc1ccccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.45
PLA2G10 O15496 1/20 0.45
PLA2G1B P04054 1/20 0.45
PLA2G5 P39877 1/20 0.45
EGFR P00533 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
PPARG P37231 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
RECQL P46063 2/20 0.38
PLEC Q15149 1/20 0.38
MCL1 Q07820 2/20 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
SCHEMBL6894747 0.92 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6689220 0.90 PLA2G2A (0.47) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6890366 0.89 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6774300 0.89 PLA2G2A (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5MCL1
SCHEMBL6892544 0.88 MAPT (0.44) PLA2G2AKDM4EHPGDMEN1KMT2A
SCHEMBL6896741 0.87 PLA2G2A (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6894724 0.87 SLC6A3 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6689196 0.86 GAA (0.47) PLA2G2APLA2G10PLA2G1BPLA2G5KDM4E
SCHEMBL6889571 0.86 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6888834 0.86 HSP90AA1 (0.41) PLA2G2APLA2G1BKDM4EHPGDMEN1

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