SCHEMBL7087045

SCHEMBL7087045

CC(OCCOC(=O)C12CC3CC(CC(C3)C1)C2)C([O])=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
PRKCA P17252 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.41
CYP17A1 P05093 4/20 0.40
CYP19A1 P11511 4/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 2/20 0.38
RECQL P46063 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
SCHEMBL4371197 0.88 ALDH1A1 (0.49) ALDH1A1PRKCANPSR1MEN1KMT2A
SCHEMBL13191131 0.84 PRKCA (0.51) ALDH1A1PRKCANPSR1MEN1KMT2A
SCHEMBL23780305 0.84 ALDH1A1 (0.48) ALDH1A1PRKCANPSR1MEN1KMT2A
SCHEMBL12132675 0.82 ALDH1A1 (0.58) ALDH1A1PRKCANPSR1MEN1KMT2A
SCHEMBL1174006 0.78 PRKCA (0.46) ALDH1A1PRKCANPSR1MEN1KMT2A
SCHEMBL1174019 0.78 ALDH1A1 (0.43) ALDH1A1PRKCANPSR1MEN1KMT2A
SCHEMBL7083988 0.78 ALDH1A1 (0.41) ALDH1A1NPSR1MEN1KMT2ACYP17A1
SCHEMBL16682462 0.77 ALDH1A1 (0.47) ALDH1A1PRKCANPSR1MEN1KMT2A
SCHEMBL1322672 0.76 PRKCA (0.44) ALDH1A1PRKCANPSR1MEN1KMT2A
SCHEMBL1323622 0.75 PRKCA (0.43) ALDH1A1PRKCANPSR1MEN1KMT2A

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-20030180659-A1 Resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-25 US disclosed