SCHEMBL7273855

SCHEMBL7273855

N=C(N)NCCCCCC(=O)NC[C@@H]1C[C@@H](CC(=O)O)C(=O)N1CCCCOc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HPGD P15428 3/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TERT O14746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM1A O60341 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL8884029 0.89 HDAC1 (0.42) HDAC1HDAC2HPGDHTTITGB3
SCHEMBL7272971 0.87 NAMPT (0.41) HDAC1HDAC2HPGDMEN1KMT2A
SCHEMBL7284310 0.87 NAMPT (0.41) HDAC1HDAC2HPGDMEN1KMT2A
SCHEMBL7272690 0.87 NAMPT (0.41) HDAC1HDAC2HPGDMEN1KMT2A
SCHEMBL7274864 0.86 NAMPT (0.40) HDAC1HDAC2HPGDMEN1KMT2A
SCHEMBL7274469 0.86 LMNA (0.42) HDAC1HDAC2HPGDMEN1KMT2A
SCHEMBL7273173 0.86 CA12 (0.42) HDAC1HPGDMEN1KMT2AHDAC3
SCHEMBL7282847 0.85 HDAC3 (0.41) HDAC1HDAC2MEN1KMT2ASMN1; SMN2
SCHEMBL7274533 0.84 TSHR (0.40) MEN1KMT2ASMN1; SMN2ITGB3ITGA2B
SCHEMBL7274136 0.83 HDAC1 (0.39) HDAC1HDAC2ITGB3ITGA2BHDAC3

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
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed