SCHEMBL16534751

SCHEMBL16534751

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 4/20 0.38
CYP19A1 P11511 5/20 0.38
CYP17A1 P05093 4/20 0.38
NAAA Q02083 1/20 0.35
CACNA1H O95180 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALOX15 P16050 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7914851 0.84 MEN1 (0.39) MEN1KMT2AMAPK1EPHX2CYP19A1
SCHEMBL6207794 0.76 MEN1 (0.43) MEN1KMT2AMAPK1EPHX2CYP19A1
SCHEMBL679915 0.76 NPSR1 (0.40) MEN1KMT2AMAPK1EPHX2CYP19A1
SCHEMBL6103438 0.74 CYP19A1 (0.39) MEN1KMT2AEPHX2CYP19A1CYP17A1
SCHEMBL17752183 0.73 CYP19A1 (0.41) MEN1KMT2AMAPK1EPHX2CYP19A1
SCHEMBL45476 0.73 NAAA (0.40) MEN1KMT2AEPHX2CYP19A1CYP17A1
SCHEMBL14463103 0.72 NPSR1 (0.38) EPHX2CYP19A1CYP17A1NAAANPSR1
SCHEMBL16369107 0.72 CYP19A1 (0.40) MEN1KMT2AEPHX2CYP19A1CYP17A1
SCHEMBL27634517 0.72 CYP19A1 (0.43) MEN1KMT2AMAPK1EPHX2CYP19A1
SCHEMBL28138951 0.72 NAAA (0.39) MEN1KMT2AEPHX2CYP19A1CYP17A1

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-9522998-B2 Resin mold material composition for imprinting DAIKIN INDUSTRIES, LTD. (JP) 2016-12-20 US disclosed
US-20150064909-A1 RESIN MOLD MATERIAL COMPOSITION FOR IMPRINTING DAIKIN INDUSTRIES, LTD. (JP) 2015-03-05 US disclosed