SCHEMBL4776732

SCHEMBL4776732

O=C(c1ccccc1)[C@H]1CN(C2CCCC2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM2B Q8NHM5 3/20 0.46
SLC18A3 Q16572 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MCL1 Q07820 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL4021961 0.98 KDM4E (0.49) HRH3KDM4EPOLBALDH1A1KDM2B
Benzaldehyde SCHEMBL4772493 0.90 KDM4E (0.42) HRH3KDM4EPOLBALDH1A1KDM2B
SCHEMBL4021144 0.83 HRH3 (0.43) HRH3KDM4EPOLBALDH1A1KDM2B
SCHEMBL4022028 0.80 KMT2A (0.61) ALDH1A1L3MBTL1
SCHEMBL4026478 0.76 KMT2A (0.44) ALDH1A1
SCHEMBL4024282 0.75 SLC18A3 (0.45) ALDH1A1SLC18A3LMNA
SCHEMBL4022301 0.75 MEN1 (0.40) ALDH1A1
SCHEMBL4772415 0.75 RORC (0.64) ALDH1A1LMNA
SCHEMBL4022773 0.75 RORC (0.64) ALDH1A1LMNA
SCHEMBL4026119 0.75 SLC18A3 (0.45) ALDH1A1SLC18A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed