SCHEMBL4074353

SCHEMBL4074353

O=C(CCCC(=O)NCCc1ccccc1)NCCc1ccccc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.87
HDAC1 Q13547 3/20 0.87
HDAC2 Q92769 3/20 0.87
HDAC10 Q969S8 3/20 0.87
HDAC11 Q96DB2 3/20 0.87
HDAC8 Q9BY41 3/20 0.87
HDAC6 Q9UBN7 3/20 0.87
NCOR2 Q9Y618 3/20 0.87
HDAC4 P56524 2/20 0.87
HDAC9 Q9UKV0 2/20 0.87
TAAR1 Q96RJ0 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
LMNA P02545 2/20 0.73
TSHR P16473 1/20 0.73
F13A1 P00488 1/20 0.69
TRPV1 Q8NER1 1/20 0.68
GAA P10253 1/20 0.67
HDAC7 Q8WUI4 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66
POLB P06746 1/20 0.65

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
SCHEMBL7440269 0.95 LMNA (0.82) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL13073412 0.94 HDAC3 (0.78) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL25840478 0.93 HDAC3 (0.77) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL15598132 0.93 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17117356 0.93 HDAC1 (0.79) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7765076 0.92 L3MBTL1 (0.79) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL25841202 0.92 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7280705 0.91 HDAC3 (0.77) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL2186352 0.90 HDAC2 (0.72) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL6609568 0.90 HDAC1 (0.72) HDAC3HDAC1HDAC2HDAC10HDAC11

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-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed