SCHEMBL3290691

SCHEMBL3290691

CC(C)(OC(=O)Cl)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 3/20 0.36
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36
GLA P06280 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
GAA P10253 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
SCHEMBL441785 0.84 MEN1 (0.39) MEN1MAPK1KMT2AEPHX2CYP17A1
SCHEMBL13527866 0.82 MEN1 (0.38) MEN1MAPK1KMT2AEPHX2CYP17A1
SCHEMBL14838346 0.82 MEN1 (0.38) MEN1MAPK1KMT2AEPHX2CYP17A1
SCHEMBL4903544 0.82 EPHX2 (0.39) MEN1MAPK1KMT2AEPHX2CYP17A1
SCHEMBL112620 0.82 MEN1 (0.38) MEN1MAPK1KMT2AEPHX2CYP17A1
SCHEMBL13638396 0.82 MEN1 (0.38) MEN1MAPK1KMT2AEPHX2CYP17A1
SCHEMBL4547708 0.82 EPHX2 (0.39) MEN1MAPK1KMT2AEPHX2CYP17A1
SCHEMBL17049827 0.81 KMT2A (0.41) MEN1MAPK1KMT2AEPHX2GLA
SCHEMBL19075500 0.81 CYP17A1 (0.38) MEN1MAPK1KMT2AEPHX2CYP17A1
SCHEMBL25968927 0.81 EPHX2 (0.43) MEN1MAPK1KMT2AEPHX2CYP17A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627832-A Preparation method for synthesizing tenofovir alafenamide by oxidation method 江西农业大学 2019-12-31 CN claimed
CN-110627832-A Preparation method for synthesizing tenofovir alafenamide by oxidation method 江西农业大学 2019-12-31 CN disclosed
US-7727434-B2 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY (US) 2010-06-01 US disclosed
US-20070039874-A1 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY 2007-02-22 US disclosed
US-6759509-B1 CONJUGATES CONTAINING A TARGETING LIGAND, SUCH AS AN ANTIBODY, A THERAPEUTICALLY ACTIVE DRUG AND A BRANCHED PEPTIDE LINKER BRISTOL-MYERS SQUIBB COMPANY 2004-07-06 US disclosed