SCHEMBL7356304

SCHEMBL7356304

CCCCN(CCCC)CC(O)CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.41
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
MAPT P10636 2/20 0.33
HSF1 Q00613 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL16813073 0.92 HTT (0.47) KDM4ETDP1MAPK1MEN1KMT2A
SCHEMBL29966470 0.86 KDM4E (0.51) KDM4ETDP1MAPK1MEN1KMT2A
SCHEMBL22026425 0.85 GGPS1 (0.44) KDM4ETDP1MAPK1MEN1KMT2A
SCHEMBL719201 0.83 HTT (0.43) KDM4ETDP1MAPK1HTTPOLB
SCHEMBL718257 0.83 HTT (0.43) KDM4ETDP1MAPK1HTTPOLB
SCHEMBL14619487 0.83 PLA2G1B (0.35) KDM4ETDP1MAPK1MEN1KMT2A
SCHEMBL16813072 0.82 ALDH1A1 (0.42) KDM4ETDP1MAPK1MEN1KMT2A
SCHEMBL22840030 0.82 ALDH1A1 (0.42) KDM4ETDP1MAPK1MEN1KMT2A
SCHEMBL14288365 0.82 MEN1 (0.42) KDM4EMAPK1MEN1KMT2AHTT
SCHEMBL13991599 0.82 MEN1 (0.42) KDM4EMAPK1MEN1KMT2AHTT

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
US-5922703-A USEFUL FOR TREATING CONGESTIVE HEART FAILURE THE PROCTER & GAMBLE COMPANY (US) 1999-07-13 US disclosed
EP-0720617-B1 NOVEL URETHANE-CONTAINING AMINOSTEROID COMPOUNDS PROCTER & GAMBLE (US) 1998-12-30 EP disclosed
EP-0720617-A1 NOVEL URETHANE-CONTAINING AMINOSTEROID COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1996-07-10 EP disclosed
WO-1995008559-A1 NOVEL URETHANE-CONTAINING AMINOSTEROID COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1995-03-30 WO disclosed