SCHEMBL8301038

SCHEMBL8301038

COC(=O)Cc1c(C)n(Cc2ccccc2)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 14/20 0.71
GFER P55789 1/20 0.64
PTGDR2 Q9Y5Y4 1/20 0.60
PLA2G1B P04054 1/20 0.60
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53

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
SCHEMBL14979163 0.90 PLA2G2A (0.62) PLA2G2AGFERPTGDR2PLA2G1BALDH1A1
SCHEMBL8300494 0.88 PLA2G2A (0.66) PLA2G2AGFERPTGDR2PLA2G1BALDH1A1
SCHEMBL7961998 0.88 PLA2G2A (0.62) PLA2G2APLA2G1BALDH1A1GAAMAPT
SCHEMBL8292072 0.87 PLA2G2A (0.61) PLA2G2APLA2G1BALDH1A1GAAMAPT
SCHEMBL7961660 0.87 PLA2G2A (0.75) PLA2G2APLA2G1BALDH1A1GAAMAPT
SCHEMBL14979166 0.86 LMNA (0.59) PLA2G2AGFERPTGDR2PLA2G1BMAPT
SCHEMBL8645997 0.86 PLA2G2A (0.83) PLA2G2APLA2G1BALDH1A1MAPTPKM
SCHEMBL29941473 0.84 PLA2G2A (0.75) PLA2G2AGFERPTGDR2ALDH1A1KDM4E
SCHEMBL8292077 0.83 PLA2G2A (1.00) PLA2G2AGFERPTGDR2
SCHEMBL8291607 0.83 PLA2G2A (0.68) PLA2G2APLA2G1BALDH1A1MAPTPKM

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
EP-0620214-B1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors LILLY CO ELI (US) 1999-03-03 EP disclosed
US-5578634-A SEPTIC SHOCK TREATMENT ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0620214-A1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed