SCHEMBL6896741

SCHEMBL6896741

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G1B P04054 1/20 0.41
PLA2G5 P39877 1/20 0.41
EGFR P00533 1/20 0.37
KCNA5 P22460 3/20 0.36
KCNH2 Q12809 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PLEC Q15149 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6777538 0.90 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5KCNA5
SCHEMBL6894747 0.89 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6894528 0.87 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6894947 0.87 MAPT (0.41) PLA2G2AMEN1KMT2AMAPTRECQL
SCHEMBL6694748 0.87 MAPT (0.43) PLA2G2AMEN1KMT2AMAPTALDH1A1
SCHEMBL6689220 0.87 PLA2G2A (0.47) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6894722 0.87 PLA2G2A (0.41) PLA2G2APLA2G1BEGFRMAPTALDH1A1
SCHEMBL6896161 0.87 HSP90AA1 (0.40) PLA2G2APLA2G1BMAPTTDP1ALDH1A1
SCHEMBL6890366 0.87 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6887085 0.87 MAPT (0.44) PLA2G2AMEN1KMT2AMAPTTDP1

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