SCHEMBL6896777

SCHEMBL6896777

CCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3cccc(Oc4ccccc4)c3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.44
CCR8 P51685 4/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 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
SCHEMBL6691213 0.92 FAAH (0.46) FAAHCCR8ALDH1A1KDM4ETDP1
SCHEMBL6894814 0.92 MAPT (0.44) ALDH1A1KDM4EMAPTTHRBGAA
SCHEMBL6896220 0.91 FAAH (0.43) FAAHCCR8ALDH1A1KDM4EMAPT
SCHEMBL6894773 0.91 FAAH (0.43) FAAHCCR8ALDH1A1KDM4EMAPT
SCHEMBL6897075 0.91 CETP (0.41) FAAHCCR8ALDH1A1
SCHEMBL6775435 0.90 PLA2G2A (0.40) FAAHCCR8ALDH1A1KDM4ETDP1
SCHEMBL6897434 0.89 MAPT (0.39) ALDH1A1KDM4EMAPTTHRBGAA
SCHEMBL6897303 0.89 PLA2G2A (0.42) FAAHALDH1A1MAPTTHRBGAA
SCHEMBL6892310 0.89 FAAH (0.41) FAAHCCR8ALDH1A1MAPTTP53
SCHEMBL6888939 0.87 TSPO (0.42) KDM4ETDP1MAPTLMNAMEN1

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