SCHEMBL8301171

SCHEMBL8301171

CCOC(=O)Cc1c(C)n(CCCCc2ccccc2)c2ccc(OC)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 13/20 0.74
PLA2G1B P04054 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
PTGS2 P35354 3/20 0.55
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RGS12 O14924 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL8298845 0.97 PLA2G2A (0.78) PLA2G2APLA2G1BMEN1KMT2APOLB
SCHEMBL8648170 0.87 PLA2G2A (0.84) PLA2G2APLA2G1BMEN1KMT2APOLB
SCHEMBL7962081 0.87 PLA2G2A (0.80) PLA2G2APLA2G1BMEN1KMT2APTGS2
SCHEMBL7961629 0.87 PLA2G2A (0.78) PLA2G2APLA2G1BPTGS2KDM4EHSD17B10
SCHEMBL7962226 0.87 PLA2G2A (0.78) PLA2G2APLA2G1BPTGS2KDM4EHSD17B10
SCHEMBL7962129 0.87 PLA2G2A (0.78) PLA2G2APLA2G1BPTGS2KDM4EHSD17B10
SCHEMBL7963668 0.87 PLA2G2A (0.78) PLA2G2APLA2G1BPTGS2KDM4EHSD17B10
SCHEMBL8296778 0.85 PLA2G2A (0.94) PLA2G2A
SCHEMBL8291787 0.82 PLA2G2A (1.00) PLA2G2A
SCHEMBL8292855 0.82 PLA2G2A (0.73) PLA2G2APLA2G1BMEN1KMT2APTGS2

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