SCHEMBL6889327

SCHEMBL6889327

CCCCCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3cccc(F)c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 3/20 0.41
GLA P06280 1/20 0.41
CNR2 P34972 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90B1 P14625 1/20 0.38
F10 P00742 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR4 P22455 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 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
SCHEMBL5212605 0.91 MAPK8 (0.42) MAPTGAATRPV1ALDH1A1
SCHEMBL6895418 0.91 L3MBTL1 (0.45) MAPTL3MBTL1LMNAGLAHSP90AA1
SCHEMBL6896800 0.90 MAPT (0.43) MAPTL3MBTL1CNR2TP53POLB
SCHEMBL6897945 0.89 POLB (0.36) F10POLBALDH1A1
SCHEMBL6891901 0.89 PLA2G2A (0.43) MAPTCNR2TP53POLB
SCHEMBL6775871 0.89 LMNA (0.40) LMNAGLACNR2F10POLB
SCHEMBL6898238 0.89 TRPV1 (0.46) MAPTF10KDM4ETRPV1ALDH1A1
SCHEMBL6889205 0.88 MAPK8 (0.41) TRPV1
SCHEMBL6888047 0.88 CNR1 (0.38) MAPTCNR2KDM4EGAATRPV1
SCHEMBL6897075 0.88 CETP (0.41) ALDH1A1

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