SCHEMBL7744513

SCHEMBL7744513

CC(C)(C)OC(=O)COC(=O)C1C2CC3CC(C2)CC1(C(=O)OCC(=O)OC(C)(C)C)C3

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5434102 0.96 EPHX2 (0.38) EPHX2MEN1KMT2AMAPK1POLB
SCHEMBL5428779 0.95 EPHX2 (0.37) EPHX2MEN1KMT2AMAPK1POLB
SCHEMBL5433897 0.81 MAPK1 (0.40) EPHX2MEN1KMT2AMAPK1
SCHEMBL135702 0.78 ALDH1A1 (0.53) EPHX2MEN1KMT2AMAPK1POLB
SCHEMBL3682434 0.76 CYP3A4 (0.43) EPHX2MAPK1ALDH1A1
SCHEMBL5440940 0.74 ALDH1A1 (0.41) EPHX2MEN1KMT2AMAPK1ALDH1A1
SCHEMBL5437873 0.74 CYP17A1 (0.37) EPHX2MEN1KMT2AMAPK1POLB
SCHEMBL6922876 0.74 MEN1 (0.39) EPHX2MEN1KMT2AMAPK1
SCHEMBL134393 0.71 LMNA (0.55) EPHX2MEN1KMT2AMAPK1POLB
SCHEMBL5439376 0.71 EPHX2 (0.36) EPHX2MEN1KMT2AMAPK1ALDH1A1

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
JP-2002365804-A RADIATION SENSITIVE RESIN COMPOSITION JSR CORP 2002-12-18 JP disclosed