SCHEMBL6775864

SCHEMBL6775864

Cc1cccc(Cn2c3cc(C(C)C)cc(O)c3c3c(C(N)=O)cccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.41
PLA2G2A P14555 2/20 0.40
TSHR P16473 1/20 0.40
F10 P00742 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 2/20 0.39
PARP2 Q9UGN5 2/20 0.39
MAPT P10636 4/20 0.38
THRB P10828 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SRC P12931 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
MAPK8 P45983 1/20 0.38
ALDH1A2 O94788 1/20 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
SCHEMBL6689186 0.91 PLA2G2A (0.46) ADRA1DPLA2G2APARP1SRC
SCHEMBL6775770 0.89 F10 (0.39) PLA2G2AF10PARP1PARP2MAPK8
SCHEMBL6776450 0.89 LMNA (0.39) PLA2G2ATSHRF10MAPK8FEN1
SCHEMBL6771712 0.89 PLA2G2A (0.51) ADRA1DPLA2G2AF10ALDH1A1L3MBTL1
SCHEMBL6691732 0.88 ADRA1D (0.44) ADRA1DPLA2G2ATSHRF10ALDH1A1
SCHEMBL6774350 0.88 PLA2G2A (0.40) PLA2G2AF10THRBTHRA
SCHEMBL6780031 0.88 PLA2G2A (0.44) PLA2G2AF10
SCHEMBL6895041 0.88 MAPT (0.45) TSHRALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6693347 0.87 PLA2G2A (0.51) ADRA1DPLA2G2ATSHRF10ALDH1A1
SCHEMBL6778086 0.87 F10 (0.40) PLA2G2AF10THRBTHRA

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