SCHEMBL28533849

SCHEMBL28533849

CC(C)=C(NC=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
TDP1 Q9NUW8 3/20 0.40
CES1 P23141 3/20 0.40
MAPK1 P28482 2/20 0.40
CES2 O00748 2/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 4/20 0.39
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 2/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PARP1 P09874 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ALOX15 P16050 2/20 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
SCHEMBL21753845 0.88 HDAC3 (0.34) ALDH1A1TDP1CES1MAPK1CES2
SCHEMBL13243496 0.82 ALDH1A1 (0.41) ALDH1A1TDP1CES1MAPK1CES2
SCHEMBL10469499 0.79 AKT1 (0.39) ALDH1A1TDP1CES1CES2LMNA
SCHEMBL3590417 0.78 ALDH1A1 (0.43) ALDH1A1TDP1CES1MAPK1CES2
SCHEMBL25148634 0.75 PARP1 (0.42) ALDH1A1TDP1CES1MAPK1CES2
SCHEMBL25148786 0.75 PARP1 (0.42) ALDH1A1TDP1CES1MAPK1CES2
SCHEMBL27558616 0.74 TDP1 (0.46) ALDH1A1TDP1CES1MAPK1CES2
SCHEMBL25148649 0.73 ALDH1A1 (0.37) ALDH1A1TDP1CES1MAPK1CES2
SCHEMBL6552377 0.72 CES1 (0.46) ALDH1A1TDP1CES1MAPK1CES2
SCHEMBL25148694 0.71 PARP1 (0.39) ALDH1A1TDP1CES1MAPK1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384538-A Polymer, composition containing same, method for curing same, cured product thereof, and method for producing polymer 株式会社ADEKA 2021-02-19 CN disclosed