SCHEMBL15853239

SCHEMBL15853239

CC(COC(=O)C(C)(COC(=O)C12CC3CC(CC(C3)C1)C2)COC(=O)C12CC3CC(CC(C3)C1)C2)(COC(=O)C(C)(COC(=O)C12CC3CC(CC(C3)C1)C2)COC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCCC(F)(F)C(C)(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.37
CYP19A1 P11511 4/20 0.37
ALDH1A1 P00352 7/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PRKCA P17252 1/20 0.36
ATM Q13315 1/20 0.34
PKM P14618 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL15853237 0.91 ALDH1A1 (0.36) CYP17A1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL15853230 0.89 ALDH1A1 (0.37) CYP17A1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL15853233 0.88 ALDH1A1 (0.34) CYP17A1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL8798343 0.87 NPSR1 (0.44) CYP17A1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL15853232 0.86 ALDH1A1 (0.34) CYP17A1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL15853243 0.86 PRKCA (0.37) CYP17A1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL15842527 0.85 ALDH1A1 (0.34) CYP17A1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL15842526 0.84 ALDH1A1 (0.33) CYP17A1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL17830206 0.83 PRKCA (0.39) CYP17A1CYP19A1ALDH1A1NPSR1MAPT
SCHEMBL17830191 0.83 PRKCA (0.39) CYP17A1CYP19A1ALDH1A1NPSR1MAPT

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
US-9128372-B2 Dendritic compounds, photoresist compositions and methods of making electronic devices ROHM AND HAAS ELECTRONIC MATERIALS LLC 2015-09-08 US disclosed
US-20140186770-A1 DENDRITIC COMPOUNDS, PHOTORESIST COMPOSITIONS AND METHODS OF MAKING ELECTRONIC DEVICES U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2014-07-03 US disclosed