SCHEMBL6894986

SCHEMBL6894986

COC(=O)c1cccc2c1c1c(O)cc(C)cc1n2Cc1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90B1 P14625 1/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 3/20 0.38
POLB P06746 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PTGER3 P43115 1/20 0.36
EGFR P00533 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL6892544 0.89 MAPT (0.44) HSP90AA1HSP90B1HPGDTP53ALDH1A1
SCHEMBL6888996 0.89 TSHR (0.46) HSP90AA1HSP90B1HPGDTP53POLB
SCHEMBL6894500 0.89 PTGDR2 (0.39) HSP90AA1HSP90B1HPGDTP53POLB
SCHEMBL6892130 0.89 HSP90AA1 (0.38) HSP90AA1HSP90B1HPGDTP53POLB
SCHEMBL6776254 0.88 CD38 (0.41) TP53POLBALDH1A1TSHRKMT2A
SCHEMBL6897295 0.88 MAPT (0.48) HPGDTP53ALDH1A1LMNATSHR
SCHEMBL6898392 0.88 L3MBTL1 (0.44) HSP90AA1HSP90B1POLBALDH1A1LMNA
SCHEMBL6898120 0.87 HSP90AA1 (0.37) HSP90AA1HSP90B1HPGDTP53POLB
SCHEMBL6896629 0.87 MAPK8 (0.47) HPGDALDH1A1KMT2AMEN1HTT
SCHEMBL6689196 0.86 GAA (0.47) ALDH1A1TSHRKMT2AMEN1NPSR1

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