SCHEMBL25214731

SCHEMBL25214731

C[C](C)C1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
POLB P06746 2/20 0.48
GPR3 P46089 2/20 0.46
HTR2A P28223 1/20 0.41
KMT2A Q03164 3/20 0.39
ACHE P22303 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL7043488 0.80 HDAC3 (0.57) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL28557405 0.78 HDAC3 (0.54) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL29607399 0.77 HDAC3 (0.44) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL23120110 0.77 HDAC3 (0.44) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL4080813 0.73 POLB (0.44) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL18025887 0.72 POLB (0.56) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL1567079 0.72 HDAC3 (0.59) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL40500 0.72 HDAC3 (0.59) HDAC3HDAC4HDAC7HDAC8HDAC6
Benzene SCHEMBL28538497 0.72 HDAC3 (0.59) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL30001332 0.72 HDAC3 (0.59) HDAC3HDAC4HDAC7HDAC8HDAC6

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-2023101004-A1 OLEFIN RESIN, METHOD FOR MANUFACTURING SAME, AND APPLICATION FOR SAME 三井化学株式会社 2023-06-08 WO disclosed