SCHEMBL4084293

SCHEMBL4084293

Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NCCCCC(=O)O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.42
HDAC4 P56524 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
HPGD P15428 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 4/20 0.39
OPRL1 P41146 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 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
SCHEMBL4075032 0.94 HPGD (0.40) HPGDRAB9ASMN1; SMN2OPRM1OPRL1
SCHEMBL206456 0.89 POLB (0.45) HPGDRAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL208660 0.87 PLAAT3 (0.46) RAB9ASMN1; SMN2OPRM1OPRL1TSHR
SCHEMBL5162372 0.86 RAB9A (0.43) HPGDRAB9ASMN1; SMN2OPRM1OPRL1
SCHEMBL4072191 0.84 HPGD (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL208300 0.84 LMNA (0.50) RAB9AMEN1KMT2ALMNATSHR
SCHEMBL206704 0.84 SMYD3 (0.39) HPGDRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL205912 0.84 HPGD (0.47) HPGDRAB9AMEN1KMT2ALMNA
SCHEMBL4865158 0.82 MEN1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4084112 0.82 HPGD (0.45) 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