SCHEMBL20100407

SCHEMBL20100407

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ELANE P08246 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL20100434 0.86 KMT2A (0.45) KMT2AALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL20100412 0.85 ALDH1A1 (0.42) KMT2AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL20100384 0.84 NPC1 (0.39) NPC1RAB9ALMNANPSR1
SCHEMBL15399957 0.75 ALDH1A1 (0.59) KMT2AALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL7700177 0.72 ALDH1A1 (0.50) KMT2AALDH1A1CYP1A2NPC1RAB9A
SCHEMBL20100309 0.72 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL12339108 0.71 ALDH1A1 (0.54) KMT2AALDH1A1CYP1A2HPGDSMN1; SMN2
SCHEMBL20100388 0.71 HDAC1 (0.44) KMT2AALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL14297435 0.71 ELANE (0.49) KMT2AALDH1A1ELANESMN1; SMN2NPC1
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