SCHEMBL20100412

SCHEMBL20100412

C=C(C)C(=O)OC(C(=O)NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
HDAC1 Q13547 2/20 0.42
LMNA P02545 1/20 0.40
NR1H4 Q96RI1 5/20 0.39
ESRRG P62508 1/20 0.39
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL20100384 0.89 NPC1 (0.39) RAB9ALMNANPC1
SCHEMBL20100388 0.87 HDAC1 (0.44) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL20100407 0.85 KMT2A (0.46) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL20100439 0.75 NPC1 (0.41) RAB9ALMNANPC1
SCHEMBL20100309 0.75 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HTT
SCHEMBL20100374 0.73 HDAC1 (0.56) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL20100360 0.72 TDP1 (0.56) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL20100434 0.71 KMT2A (0.45) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL24534904 0.71 HDAC1 (0.55) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL20100308 0.71 ALDH1A1 (0.34) ALDH1A1

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
US-10042259-B2 Topcoat compositions and pattern-forming methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-08-07 US disclosed
US-10042259-B2 Topcoat compositions and pattern-forming methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-08-07 US disclosed
US-20180118970-A1 TOPCOAT COMPOSITIONS AND PATTERN-FORMING METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2018-05-03 US disclosed
US-20180118970-A1 TOPCOAT COMPOSITIONS AND PATTERN-FORMING METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2018-05-03 US disclosed