SCHEMBL2472650

SCHEMBL2472650

CN(C)c1ccc(C(=O)C(N)CCCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.49
HDAC3 O15379 6/20 0.49
HDAC2 Q92769 6/20 0.49
HDAC8 Q9BY41 6/20 0.49
HDAC4 P56524 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC10 Q969S8 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL5439907 0.82 ENPEP (0.47) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2472652 0.79 HDAC3 (0.46) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL12801060 0.78 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL19893746 0.73 HDAC1 (0.60) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL14380345 0.73 HDAC3 (0.62) HDAC1HDAC3HDAC2HDAC8HDAC4
Adipic Acid SCHEMBL3006133 0.73 ALDH1A1 (0.59) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3384161 0.72 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL11134219 0.72 S1PR2 (0.53) ALDH1A1HPGDL3MBTL1HSD17B10LMNA
SCHEMBL9040012 0.72 ALDH1A1 (0.57) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL12698767 0.71 CYP1A2 (0.52) HDAC1HDAC3HDAC2HDAC8HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022159852-A1 METHODS AND COMPOSITIONS FOR TREATING ADENOID CYSTIC CARCINOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-07-28 WO disclosed
EP-1824965-B1 Hepatic differentiation of stem cells UNIV BRUXELLES (BE) 2011-10-05 EP disclosed
US-20090130064-A1 DIFFERENTIATION OF STEM CELLS AND STABILIZATION OF PHENOTYPICAL PROPERTIES OF PRIMARY CELLS VRIJE UNIVERSITEIT BRUSSEL (BE) 2009-05-21 US disclosed