SCHEMBL20100374

SCHEMBL20100374

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
ESRRG P62508 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
EPHX2 P34913 2/20 0.47
NR1H4 Q96RI1 2/20 0.47
MAPT P10636 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL20100408 0.84 NPC1 (0.50) RAB9ATRPV1NPC1
SCHEMBL5690964 0.82 HDAC1 (0.72) HDAC1ESRRGPOLBALDH1A1LMNA
SCHEMBL14212099 0.81 HDAC1 (0.60) HDAC1POLBALDH1A1LMNAEPHX2
SCHEMBL194581 0.81 ALDH1A1 (0.55) HDAC1POLBALDH1A1LMNAMAPT
SCHEMBL23258930 0.80 TPMT (0.42) HDAC1ALDH1A1MAPTHDAC8HDAC6
SCHEMBL195428 0.80 ALDH1A1 (0.50) POLBALDH1A1LMNAMAPTRAB9A
SCHEMBL194548 0.79 ALDH1A1 (0.52) HDAC1POLBALDH1A1MAPTHDAC3
SCHEMBL24534543 0.79 HDAC1 (0.56) HDAC1POLBALDH1A1LMNAEPHX2
SCHEMBL16661813 0.77 PLK1 (0.62) ALDH1A1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL24534904 0.77 HDAC1 (0.55) HDAC1ESRRGPOLBALDH1A1LMNA

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