SCHEMBL14929423

SCHEMBL14929423

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD11B1 P28845 3/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HSD11B2 P80365 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL9924483 0.91 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1HSD11B1
SCHEMBL14929548 0.88 MEN1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1HSD11B1
SCHEMBL13556148 0.86 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1HSD11B1
SCHEMBL14929555 0.81 TSHR (0.33) EPHX2
SCHEMBL14929559 0.81 EPHX2 (0.32) ALDH1A1MEN1KMT2AL3MBTL1EPHX2
SCHEMBL10189214 0.80 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1HSD11B1
SCHEMBL14929478 0.79 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL685161 0.79 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1HSD11B1
SCHEMBL13556196 0.79 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL18845352 0.79 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1HSD11B1

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-8790867-B2 Methods of forming photolithographic patterns by negative tone development ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2014-07-29 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