SCHEMBL14944488

SCHEMBL14944488

CCC(=O)OC12CC3CC(CC(COC(C)=O)(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
THRB P10828 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.33
CYP19A1 P11511 1/20 0.33
ATM Q13315 1/20 0.33
PKM P14618 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
DPP4 P27487 1/20 0.32

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
SCHEMBL5608813 0.88 ALDH1A1 (0.42) ALDH1A1THRBMEN1KMT2AL3MBTL1
SCHEMBL12165134 0.87 ALDH1A1 (0.38) ALDH1A1THRBMEN1KMT2AL3MBTL1
SCHEMBL19335943 0.86 ALDH1A1 (0.40) ALDH1A1THRBMEN1KMT2AL3MBTL1
SCHEMBL15432447 0.85 ALDH1A1 (0.40) ALDH1A1THRBMEN1KMT2AL3MBTL1
SCHEMBL12936688 0.84 GRIN2D (0.46) ALDH1A1THRBMEN1KMT2AL3MBTL1
SCHEMBL1696549 0.83 ALDH1A1 (0.41) ALDH1A1THRBMEN1KMT2AL3MBTL1
SCHEMBL18468668 0.83 ALDH1A1 (0.43) ALDH1A1THRBMEN1KMT2AL3MBTL1
SCHEMBL17547627 0.82 ALDH1A1 (0.42) ALDH1A1THRBMEN1KMT2AL3MBTL1
SCHEMBL17717372 0.82 ALDH1A1 (0.38) ALDH1A1THRBMEN1KMT2AL3MBTL1
SCHEMBL14944490 0.82 DPP4 (0.40) ALDH1A1THRBGAANPSR1CYP19A1

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-20130122424-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-16 US disclosed