SCHEMBL20100434

SCHEMBL20100434

C=C(C)C(=O)OC(C)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
ELANE P08246 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
XBP1 P17861 1/20 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
SCHEMBL20100407 0.86 KMT2A (0.46) KMT2AELANECYP1A2CYP2C9HPGD
SCHEMBL20100388 0.85 HDAC1 (0.44) KMT2AMEN1RAB9AALDH1A1LMNA
SCHEMBL20100439 0.83 NPC1 (0.41) NPC1RAB9ALMNANPSR1
SCHEMBL14297435 0.80 ELANE (0.49) KMT2AELANEMEN1NPC1RAB9A
SCHEMBL15399957 0.77 ALDH1A1 (0.59) KMT2AELANECYP1A2CYP2C9HPGD
SCHEMBL12339108 0.73 ALDH1A1 (0.54) KMT2ACYP1A2HPGDMEN1RXFP1
Hydrochloric Acid SCHEMBL3347484 0.72 ALDH1A1 (0.53) KMT2ACYP1A2HPGDMEN1RXFP1
SCHEMBL194548 0.72 ALDH1A1 (0.52) KMT2ACYP1A2HPGDMEN1NPC1
SCHEMBL8190350 0.72 TSHR (0.49) KMT2AELANECYP1A2MEN1NPC1
SCHEMBL20100442 0.72 ATM (0.55) KMT2AELANEMEN1NPC1RAB9A

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