SCHEMBL21753845

SCHEMBL21753845

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ALDH1A1 P00352 5/20 0.33
TSHR P16473 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 2/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL28533849 0.88 ALDH1A1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11279517 0.73 DEGS1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11279520 0.73 DEGS1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13243496 0.73 ALDH1A1 (0.41) HDAC3HDAC1HDAC7HDAC2HDAC8
SCHEMBL11211096 0.72 RAB9A (0.39) HDAC3HDAC1HDAC7HDAC2HDAC8
SCHEMBL10469499 0.70 AKT1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2394148 0.70
SCHEMBL11274898 0.69 ALDH1A1 (0.43) HDAC3HDAC1HDAC7HDAC2HDAC8
SCHEMBL3590417 0.69 ALDH1A1 (0.43) HDAC3HDAC1HDAC7HDAC2HDAC8
SCHEMBL9659781 0.66 NPC1 (0.53) HDAC3HDAC1HDAC7HDAC2HDAC8

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
WO-2020040094-A1 POLYMER, COMPOSITION CONTAINING SAME, CURING METHOD THEREFOR, CURED PRODUCT THEREOF, AND POLYMER MANUFACTURING METHOD 株式会社ADEKA 2020-02-27 WO disclosed