SCHEMBL8801975

SCHEMBL8801975

CC(=O)Oc1cc(C)c2c3ccccc3n(Cc3ccccc3)c2c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GFER P55789 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
PLA2G2A P14555 3/20 0.39
S1PR3 Q99500 2/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL9056342 0.87 ELANE (0.42) ELANEMEN1KMT2AGFERHTT
SCHEMBL8802009 0.86 MEN1 (0.46) ELANEMEN1KMT2AGFERHTT
SCHEMBL8802865 0.85 ELANE (0.44) ELANEMEN1KMT2AGFERHTT
SCHEMBL9056374 0.84 ELANE (0.47) ELANEMEN1KMT2AGFERHTT
SCHEMBL8802237 0.83 MEN1 (0.47) ELANEMEN1KMT2AGFERHTT
SCHEMBL9057949 0.83 MEN1 (0.36) ELANEMEN1KMT2AGFERSMN1; SMN2
SCHEMBL9056074 0.82 PTPN1 (0.50) ELANEMEN1KMT2AGFERHTT
SCHEMBL8805148 0.82 ELANE (0.43) ELANEMEN1KMT2AGFERHTT
SCHEMBL8390508 0.81 THRB (0.46) MEN1KMT2AGFERSMN1; SMN2MAPK1
SCHEMBL9057381 0.81 ELANE (0.44) ELANEMEN1KMT2AGFERHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1166169-A Heterocyclic compounds, useful as allosteric effectors at muscarinic receptors SANKYO CO (JP) 1997-11-26 CN disclosed
EP-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 EP disclosed