SCHEMBL7548681

SCHEMBL7548681

C=CC1CC(c2ccc(Cl)cc2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.37
MAPK1 P28482 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
MMP9 P14780 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
PGR P06401 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7548455 0.85 TSHR (0.38) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL7548459 0.71 TSHR (0.37) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL7550415 0.69 TSHR (0.35) LMNAKDM1A
SCHEMBL7549783 0.67 KDM1A (0.38) KDM1A
SCHEMBL12013615 0.64 LMNA (0.46) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL23241095 0.63 MDM2 (0.41) SLC6A3MAPK1SLC6A2SLC6A4MMP9
SCHEMBL7550459 0.63 ALDH1A1 (0.34) GAAALDH1A1
SCHEMBL7547948 0.62 SLC6A3 (0.36) SLC6A3MAPK1SLC6A2SLC6A4MMP9
SCHEMBL20203378 0.62 MAP1LC3B (0.38) SLC6A3MAPK1SLC6A2MEN1KMT2A
SCHEMBL531416 0.62 TSHR (0.56) SLC6A3MAPK1SLC6A2SLC6A4LMNA

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
WO-2002051883-A1 SYNTHESIS OF NOVEL HETEROCYCLIC MOLECULES OXYGENATED BY METATHESIS REACTION ON SOLID SUPPORT USING NOVEL SILYLATED LINKERS AVENTIS PHARMA S.A. (FR) 2002-07-04 WO claimed
WO-2002051883-A1 SYNTHESIS OF NOVEL HETEROCYCLIC MOLECULES OXYGENATED BY METATHESIS REACTION ON SOLID SUPPORT USING NOVEL SILYLATED LINKERS AVENTIS PHARMA S.A. (FR) 2002-07-04 WO disclosed