SCHEMBL10027981

SCHEMBL10027981

CCOCOc1ccccc1NC(=O)C(CC(C)C(=O)OC1C2CC3C(=O)OC1C3C2)CC(CC)C(=O)Nc1ccccc1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 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
SCHEMBL12125200 0.91 TSHR (0.34) KDM4EKMT2AL3MBTL1GAAHPGD
SCHEMBL10027979 0.77 KDM4E (0.57) KDM4EKMT2AL3MBTL1GAAALDH1A1
SCHEMBL12125202 0.75 P2RX4 (0.31) —
SCHEMBL133380 0.74 NLRP3 (0.32) —
SCHEMBL11986000 0.74 NLRP3 (0.32) —
SCHEMBL112073 0.70 HMGCR (0.33) KDM4EKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL13222983 0.69 — —
SCHEMBL12973908 0.69 NLRP3 (0.37) —
SCHEMBL13759736 0.69 SOAT1 (0.30) —
SCHEMBL13759732 0.67 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120021357-A1 POSITIVE-TYPE PHOTOSENSITIVE INSULATING RESIN COMPOSITION, AND PATTERN FORMING METHOD USING SAME NEC CORPORATION (JP) 2012-01-26 — — US disclosed
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