SCHEMBL9027482

SCHEMBL9027482

COc1c(Cc2c[nH]c3ccc(C)cc23)nc(OCc2ccccc2)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.38
LTA4H P09960 2/20 0.36
PLA2G2A P14555 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HTR1D P28221 3/20 0.36
TRPM8 Q7Z2W7 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC6A4 P31645 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
IDO1 P14902 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9025363 0.92 LTA4H (0.46) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL9026402 0.92 GPR84 (0.45) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL9026147 0.91 KMT2A (0.40) MEN1KMT2AHTR1DMAPTKDM4E
SCHEMBL9027221 0.89 PDE10A (0.36) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL9026872 0.84 SOS2 (0.38) PCSK9LTA4HPLA2G2ATRPM8MAPT
SCHEMBL9026638 0.83 KMT2A (0.39) MEN1KMT2AHTR1DMAPTKDM4E
SCHEMBL9027273 0.82 KMT2A (0.38) MEN1KMT2AHTR1DMAPTKDM4E
SCHEMBL9026084 0.81 KCNA5 (0.38) MEN1KMT2AHTR1DGPR84
SCHEMBL9026979 0.81 GPR84 (0.41) MEN1KMT2AHTR1DMAPTKDM4E
SCHEMBL9027840 0.79 KMT2A (0.40) MEN1KMT2AHTR1DMAPTKDM4E

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
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed