SCHEMBL29936164

SCHEMBL29936164

CC(C)(NC(=O)O)c1ccccc1C(C)(C)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
EGFR P00533 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2C9 P11712 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6435840 0.90 PDK1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27245174 0.88 ALDH1A1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5027223 0.86 PDK1 (0.41) POLBCYP2C9MAPTKMT2AALDH1A1
SCHEMBL11566692 0.83 SSTR4 (0.52) HDAC8CYP2C9KMT2AALDH1A1NPC1
SCHEMBL935057 0.82 SSTR4 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL4323383 0.80 SSTR4 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10921467 0.76 SSTR4 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2362106 0.75 ADAMTS4 (0.51) POLBCYP2C9SMN1; SMN2MAPTKMT2A
SCHEMBL21679995 0.74 ACLY (0.41) HDAC1HDAC6CYP2C9MAPTNPC1
SCHEMBL27265271 0.74 SSTR4 (0.38) SMN1; SMN2KMT2AGAAALDH1A1NPC1

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
EP-2841496-B1 RUBBER COMPOSITIONS ALLNEX GERMANY GMBH (DE) 2022-10-26 EP claimed