SCHEMBL8504263

SCHEMBL8504263

COC(=O)C(O)c1cccc2c1cc(C)n2Cc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
DNM1 Q05193 1/20 0.42
CMA1 P23946 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
F10 P00742 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
GSK3B P49841 1/20 0.38
PIK3C2B O00750 1/20 0.37
TACR1 P25103 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
SCHEMBL8505557 0.84 MAPK1 (0.51) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL8503374 0.81 CYP1A2 (0.45) KDM4EALDH1A1MAPTNPSR1PLA2G2A
SCHEMBL8502665 0.80 MAPT (0.45) KDM4EALDH1A1MAPTNPSR1HTT
SCHEMBL8504259 0.78 KDM4E (0.47) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL2157708 0.77 PLA2G2A (0.50) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL3048393 0.76 KMT2A (0.46) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL2157299 0.76 MEN1 (0.50) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL2156667 0.75 F10 (0.47) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL8505425 0.73 PLA2G2A (0.45) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL8502662 0.72 MTNR1A (0.52) KDM4EALDH1A1MAPTPLA2G2AGAA

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-5919943-A INHIBITION OF SPLA2 ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5919810-A SEPTIC SHOCK ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5733923-A SECRETORY PANCREATIC PHOSPHOLIPASE A2 ELI LILLY AND COMPANY (US) 1998-03-31 US disclosed