SCHEMBL9080973

SCHEMBL9080973

CCOC(=O)c1c(C2CC2)cn2cccc(OCc3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA3 P0DMS8 3/20 0.41
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PPIA P62937 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL7012498 0.87 HTR1A (0.44) KMT2AMEN1ALDH1A1HPGDHTR1A
SCHEMBL8345231 0.84 KDM4E (0.45) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL7011022 0.83 KDM4E (0.44) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL23888978 0.78 GAA (0.44) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL8327321 0.77 PLA2G1B (0.43) KMT2AMEN1ALDH1A1HTR1ASLC6A2
SCHEMBL19127912 0.76 KDM4E (0.43) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL3952696 0.76 RXRA (0.49) MAPT
SCHEMBL13794527 0.75 MAPT (0.45) GAAALDH1A1HPGDPPIAMAPT
SCHEMBL7011352 0.74 FOLH1 (0.47) ALDH1A1MAPT
SCHEMBL27477173 0.74 HTR1A (0.43) KMT2AMEN1KDM4EALDH1A1HTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed