SCHEMBL6897629

SCHEMBL6897629

COC(=O)c1cccc2c1c1c(O)cc(C(C)C)cc1n2Cc1cccc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
F10 P00742 1/20 0.36
P2RX7 Q99572 1/20 0.36
MAPK8 P45983 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
P2RX3 P56373 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
SCHEMBL6694748 0.90 MAPT (0.43) MAPTTHRB
SCHEMBL6895041 0.89 MAPT (0.45) POLBTP53MAPTTHRB
SCHEMBL6895034 0.89 L3MBTL1 (0.43) POLBF10P2RX7TP53MAPT
SCHEMBL6895778 0.89 PLA2G2A (0.45) POLBF10MAPT
SCHEMBL6775770 0.88 F10 (0.39) POLBF10MAPK8ERCC5FEN1
SCHEMBL6899653 0.88 F10 (0.42) POLBF10P2RX7MAPK8MAOA
SCHEMBL6890656 0.88 THRB (0.37) F10MAPTTHRB
SCHEMBL6894722 0.88 PLA2G2A (0.41) MAPK8MAPTTHRB
SCHEMBL6897569 0.87 MAPT (0.40) POLBF10P2RX7MAPK8MAOA
SCHEMBL6895193 0.87 POLB (0.39) POLBF10P2RX7MAPK8MAOA

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