SCHEMBL6892310

SCHEMBL6892310

COC(=O)c1cccc2c1c1c(O)cc(C(C)C)cc1n2Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.41
YWHAH Q04917 4/20 0.41
FFAR1 O14842 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PTGES O14684 1/20 0.39
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 1/20 0.38
KCNH2 Q12809 1/20 0.37
CCR8 P51685 2/20 0.37

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 0.92 MAPT (0.43) YWHAHMAPTTHRBALDH1A1
SCHEMBL6771968 0.90 PLA2G2A (0.38) FAAHYWHAHFFAR1PTGESALDH1A1
SCHEMBL6890656 0.89 THRB (0.37) YWHAHMAPTTHRBALDH1A1
SCHEMBL6894722 0.89 PLA2G2A (0.41) FAAHYWHAHMAPTTHRBALDH1A1
SCHEMBL6896777 0.89 FAAH (0.44) FAAHTP53MAPTTHRBALDH1A1
SCHEMBL6691213 0.89 FAAH (0.46) FAAHTP53MAPTTHRBALDH1A1
SCHEMBL6896220 0.88 FAAH (0.43) FAAHTP53MAPTTHRBALDH1A1
SCHEMBL6893995 0.88 SLC6A2 (0.38) THRBALDH1A1
SCHEMBL6894773 0.88 FAAH (0.43) FAAHTP53MAPTTHRBALDH1A1
SCHEMBL6899176 0.87 TSPO (0.41) YWHAHMAPTALDH1A1

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