SCHEMBL9302647

SCHEMBL9302647

CCOC(=O)Cc1c(C)n2c3c(cc(OC)cc13)CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
PTGS2 P35354 4/20 0.43
LIPG Q9Y5X9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
GMNN O75496 1/20 0.36

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
SCHEMBL9303580 0.85 MAPK1 (0.56) MAPK1KMT2AMEN1LIPGHTR2A
SCHEMBL9304089 0.82 MEN1 (0.52) MAPK1KMT2AMEN1PTGS2HTR2A
SCHEMBL9302744 0.82 MEN1 (0.52) MAPK1KMT2AMEN1SMN1; SMN2HTR2A
SCHEMBL9303846 0.81 KMT2A (0.51) MAPK1KMT2AMEN1SMN1; SMN2HTR2A
SCHEMBL9305955 0.81 HTR2A (0.59) MAPK1KMT2AMEN1HTR2AHTR2C
SCHEMBL8553506 0.80 LIPG (0.47) MAPK1KMT2AMEN1LIPGHTR2A
SCHEMBL8555442 0.78 LIPG (0.47) MAPK1KMT2AMEN1LIPGHTR2A
SCHEMBL9304934 0.77 HTR2A (0.55) MAPK1KMT2AMEN1HTR2AHTR2C
SCHEMBL17686297 0.72 MCL1 (0.52) MAPK1KMT2AMEN1HTR2AHTR2C
SCHEMBL9303008 0.71 MCL1 (0.54) MAPK1KMT2AMEN1HTR2AHTR2C

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
US-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed