SCHEMBL6207794

SCHEMBL6207794

CC(C)(C)OC(=O)O.O=C(O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
EPHX2 P34913 3/20 0.40
CYP19A1 P11511 5/20 0.40
CYP17A1 P05093 4/20 0.40
NAAA Q02083 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
CACNA1H O95180 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 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
SCHEMBL865316 0.84 CYP19A1 (0.43) MEN1KMT2AEPHX2CYP19A1CYP17A1
Ammonia Solution, Strong SCHEMBL4339903 0.82 CYP19A1 (0.42) MEN1KMT2AEPHX2CYP19A1CYP17A1
SCHEMBL7150431 0.80 EPHX2 (0.42) EPHX2HDAC4HDAC1ALDH1A1
SCHEMBL16534751 0.76 MEN1 (0.41) MEN1KMT2AMAPK1EPHX2CYP19A1
SCHEMBL27634517 0.75 CYP19A1 (0.43) MEN1KMT2AMAPK1EPHX2CYP19A1
SCHEMBL7914851 0.73 MEN1 (0.39) MEN1KMT2AMAPK1EPHX2CYP19A1
SCHEMBL13232360 0.73 CYP19A1 (0.50) MEN1KMT2AMAPK1EPHX2CYP19A1
SCHEMBL28927321 0.72 CACNA1H (0.48) MEN1KMT2AMAPK1EPHX2CYP19A1
SCHEMBL11991228 0.71 CYP19A1 (0.46) MEN1KMT2AMAPK1EPHX2CYP19A1
SCHEMBL21436131 0.71 DGAT1 (0.43) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551844-A2 ANTITUMORAL ANALOGS OF LAMELLARINS Pharma Mar, S.A.U. (ES) 2005-07-13 EP disclosed
EP-1532139-A1 TOTAL SYNTHESIS OF MYRIAPORONES Pharma Mar, S.A. (ES) 2005-05-25 EP disclosed
WO-2004014917-A2 ANTITUMORAL ANALOGS OF LAMELLARINS PHARMA MAR, S.A.U. (ES) 2004-02-19 WO disclosed
WO-2004011458-A1 TOTAL SYNTHESIS OF MYRIAPORONES PHARMA MAR, S.A.U. (ES) 2004-02-05 WO disclosed