SCHEMBL20100388

SCHEMBL20100388

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H4 Q96RI1 5/20 0.41
ESRRG P62508 1/20 0.41
POLB P06746 1/20 0.40
EPHX2 P34913 2/20 0.39

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
SCHEMBL20100439 0.88 NPC1 (0.41) LMNARAB9A
SCHEMBL20100412 0.87 ALDH1A1 (0.42) HDAC1ALDH1A1LMNAMAPTMEN1
SCHEMBL20100434 0.85 KMT2A (0.45) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL20100384 0.75 NPC1 (0.39) LMNARAB9A
SCHEMBL20100374 0.75 HDAC1 (0.56) HDAC1ALDH1A1LMNAMAPTMEN1
SCHEMBL20100360 0.74 TDP1 (0.56) HDAC1ALDH1A1LMNAMAPTMEN1
SCHEMBL24534904 0.73 HDAC1 (0.55) HDAC1ALDH1A1LMNAMAPTMEN1
SCHEMBL20100290 0.73 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2
SCHEMBL5690964 0.72 HDAC1 (0.72) HDAC1ALDH1A1LMNAMAPTMEN1
SCHEMBL2184723 0.71 NR1H4 (0.43) HDAC1ALDH1A1LMNAMAPTMEN1

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