SCHEMBL14929451

SCHEMBL14929451

CCC(C)(CC)C(=O)OCC(=O)OCC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 2/20 0.35
HSD11B1 P28845 1/20 0.33
MDH1 P40925 1/20 0.32
MDH2 P40926 1/20 0.32
EPHX2 P34913 1/20 0.32
GAA P10253 1/20 0.31
USP2 O75604 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL14929442 0.90 ALDH1A1 (0.37) ALDH1A1THRBL3MBTL1MEN1KMT2A
SCHEMBL686292 0.89 ALDH1A1 (0.37) ALDH1A1THRBL3MBTL1MEN1KMT2A
SCHEMBL685892 0.86 ALDH1A1 (0.37) ALDH1A1THRBL3MBTL1MEN1KMT2A
SCHEMBL685261 0.84 ALDH1A1 (0.36) ALDH1A1THRBL3MBTL1MEN1KMT2A
SCHEMBL14929560 0.81 ALDH1A1 (0.35) ALDH1A1THRBL3MBTL1HSD11B1MDH1
SCHEMBL14929457 0.81 ALDH1A1 (0.38) ALDH1A1THRBL3MBTL1MEN1KMT2A
SCHEMBL9924481 0.81 ALDH1A1 (0.41) ALDH1A1THRBL3MBTL1MEN1KMT2A
SCHEMBL12017107 0.80 ALDH1A1 (0.47) ALDH1A1THRBL3MBTL1MEN1KMT2A
SCHEMBL12705345 0.80 ALDH1A1 (0.38) ALDH1A1THRBL3MBTL1MEN1KMT2A
SCHEMBL12705343 0.80 ALDH1A1 (0.38) ALDH1A1THRBL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8790867-B2 Methods of forming photolithographic patterns by negative tone development ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2014-07-29 US disclosed
US-20130302735-A1 MONOMERS, POLYMERS AND PHOTORESIST COMPOSITIONS ROHM & HAAS ELECT MAT (US) 2013-11-14 US disclosed
US-20130115559-A1 METHODS OF FORMING PHOTOLITHOGRAPHIC PATTERNS BY NEGATIVE TONE DEVELOPMENT ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2013-05-09 US disclosed