SCHEMBL26344781

SCHEMBL26344781

CC(C)C(CC(=O)O)OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
ALOX5 P09917 1/20 0.44
ATM Q13315 1/20 0.44
CES1 P23141 2/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX12 P18054 1/20 0.43
CES2 O00748 1/20 0.43

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
SCHEMBL14928378 0.86 MAPK1 (0.46) ADRB2ADRB1ADRB3L3MBTL1TDP1
SCHEMBL14928965 0.86 ADRB2 (0.50) ADRB2ADRB1ADRB3L3MBTL1TDP1
SCHEMBL14928772 0.84 MAPK1 (0.50) ADRB2ADRB1ADRB3L3MBTL1TDP1
SCHEMBL14928720 0.83 ADRB2 (0.48) ADRB2ADRB1ADRB3L3MBTL1POLB
SCHEMBL14928993 0.81 HDAC3 (0.47) ADRB2ADRB1ADRB3L3MBTL1POLB
SCHEMBL17717443 0.81 TSHR (0.50) ADRB2ADRB1ADRB3TDP1POLB
SCHEMBL14928746 0.80 L3MBTL1 (0.56) ADRB2ADRB1ADRB3L3MBTL1POLB
SCHEMBL16169034 0.79 MAPK1 (0.53) ADRB2ADRB1ADRB3L3MBTL1TDP1
SCHEMBL14929732 0.79 L3MBTL1 (0.51) ADRB2ADRB1ADRB3L3MBTL1TDP1
SCHEMBL4809726 0.79 ALDH1A1 (0.60) ADRB2ADRB1ADRB3L3MBTL1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230305393-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20230305394-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed