SCHEMBL7978294

SCHEMBL7978294

CCOC(=O)CC(=O)C(O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.43
EPHX2 P34913 10/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL3712266 0.75 LMNA (0.58) LMNAALDH1A1EPHX2MGAMGAA
SCHEMBL8105673 0.74 ALDH1A1 (0.51) ALDH1A1EPHX2MEN1KMT2A
SCHEMBL3821829 0.73 LMNA (0.42) LMNAALDH1A1EPHX2
SCHEMBL27736444 0.73 ALDH1A1 (0.50) LMNAALDH1A1EPHX2MEN1KMT2A
SCHEMBL27004526 0.72 MGAM (0.52) LMNAALDH1A1EPHX2MGAMGAA
SCHEMBL27436851 0.72 ALDH1A1 (0.61) LMNAALDH1A1EPHX2MGAMGAA
SCHEMBL11439126 0.71 EPHX2 (0.58) LMNAALDH1A1EPHX2MEN1KMT2A
SCHEMBL6160876 0.71 ALDH1A1 (0.50) LMNAALDH1A1EPHX2MGAMGAA
SCHEMBL28311741 0.70 DPP4 (0.50) LMNAALDH1A1MEN1KMT2A
SCHEMBL5671926 0.70 ALDH1A1 (0.47) ALDH1A1EPHX2MEN1KMT2A

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-2001085704-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (IV) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed