SCHEMBL8300494

SCHEMBL8300494

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

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.66
GFER P55789 1/20 0.59
PTGDR2 Q9Y5Y4 1/20 0.59
KDM4E B2RXH2 2/20 0.56
GAA P10253 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
PLA2G1B P04054 1/20 0.56
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52

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
SCHEMBL8301038 0.88 PLA2G2A (0.71) PLA2G2AGFERPTGDR2KDM4EGAA
SCHEMBL8292611 0.88 PLA2G2A (0.60) PLA2G2AKDM4EGAALMNAMAPT
SCHEMBL5605448 0.87 PLA2G2A (0.73) PLA2G2AKDM4EGAALMNAMAPT
SCHEMBL9883461 0.87 KDM4E (0.53) PLA2G2AKDM4EGAALMNAALDH1A1
SCHEMBL8291608 0.86 PLA2G2A (0.60) PLA2G2AKDM4EGAALMNAMAPT
SCHEMBL8300834 0.86 PLA2G2A (0.70) PLA2G2AKDM4EGAALMNAMAPT
SCHEMBL7953677 0.86 TDP1 (0.59) PLA2G2AKDM4EGAALMNAMAPT
SCHEMBL8293111 0.86 PLA2G2A (0.60) PLA2G2AKDM4EGAALMNAMAPT
SCHEMBL7963796 0.86 PLA2G2A (0.60) PLA2G2AKDM4EGAALMNAMAPT
SCHEMBL8292054 0.86 PLA2G2A (0.70) PLA2G2AKDM4EGAALMNAMAPT

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