SCHEMBL6897945

SCHEMBL6897945

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
PLK1 P53350 1/20 0.35
MDH1 P40925 1/20 0.35
MAPK8 P45983 1/20 0.35
F10 P00742 1/20 0.35
P2RX7 Q99572 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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) PLK1MAPK8PPARAALDH1A1
SCHEMBL6895193 0.91 POLB (0.39) POLBMAPK8F10P2RX7
SCHEMBL6896800 0.90 MAPT (0.43) POLBCYP2D6CYP2C19ALDH1A1
SCHEMBL6889327 0.89 MAPT (0.41) POLBF10ALDH1A1
SCHEMBL6891901 0.89 PLA2G2A (0.43) POLB
SCHEMBL6773827 0.89 PPARG (0.39) POLBMAPK8F10PPARA
SCHEMBL6888047 0.88 CNR1 (0.38) PLK1MAPK8PPARAALDH1A1
SCHEMBL6889205 0.88 MAPK8 (0.41) PLK1MAPK8PPARA
SCHEMBL6897075 0.88 CETP (0.41) PPARAALDH1A1
SCHEMBL6892057 0.87 HSP90AA1 (0.37) PLK1MDH1CYP1A2CYP2C19PPARA

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