SCHEMBL3499586

SCHEMBL3499586

O=C(NCCOCCO)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.83
HPGD P15428 3/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
NPSR1 Q6W5P4 1/20 0.56
PRSS1 P07477 1/20 0.56
CTSG P08311 1/20 0.56
CTRB1 P17538 1/20 0.56
CMA1 P23946 1/20 0.56
ALDH1A1 P00352 1/20 0.55
RECQL P46063 1/20 0.54
GAA P10253 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
EPHX2 P34913 1/20 0.51
KMT2A Q03164 1/20 0.51
NAAA Q02083 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL25970084 0.93 SMN1; SMN2 (0.96) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL20734830 0.91 SMN1; SMN2 (1.00) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL11425652 0.88 SMN1; SMN2 (0.65) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL39896 0.86 SMN1; SMN2 (0.62) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL15577818 0.85 SMN1; SMN2 (0.87) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL18671530 0.85 SMN1; SMN2 (0.81) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL12832761 0.85 SMN1; SMN2 (0.81) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL12445445 0.85 SMN1; SMN2 (0.81) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL30910449 0.85 SMN1; SMN2 (0.87) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL18235578 0.84 SMN1; SMN2 (0.59) SMN1; SMN2HPGDNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111218-B1 DNA CONTROLLED ASSEMBLY OF LIPID MEMBRANES UNIV SYDDANSK (DK) 2014-07-02 EP disclosed
US-20100144848-A1 DNA CONTROLLED ASSEMBLY OF LIPID MEMBRANES SYDDANSK UNIVERSITET (DK) 2010-06-10 US disclosed
EP-2111218-A1 DNA CONTROLLED ASSEMBLY OF LIPID MEMBRANES Syddansk Universitet (DK) 2009-10-28 EP disclosed
WO-2008089771-A1 DNA CONTROLLED ASSEMBLY OF LIPID MEMBRANES SYDDANSK UNIVERSITET (DK) 2008-07-31 WO disclosed
EP-0477912-B1 Novel N-acyldipeptides, and pharmaceutical compositions containing the same UNIV LJUBLJANI (SI) 2001-08-29 EP disclosed
US-5514654-A ANTITUMOR AGENTS AND IMMUNOMODULATORS UNIV LJUBLJANI (SI) 1996-05-07 US disclosed
EP-0477912-A2 Novel N-acyldipeptides, processes for the preparation thereof and pharmaceutical compositions containing the same UNIVERZA EDVARDA KARDELJA V LJUBLJANI, VDO FAKULTETA ZA NARAVOSLOVJE IN TEHNOLOGIJO, N.SOL.O., LUBLJANA (YU) 1992-04-01 EP disclosed
EP-0093805-B1 OCTAHYDRO-2-(OMEGA-MERCAPTOALKANOYL)3-OXO-1H-ISOINDOLE-1-CARBOXYLIC ACIDS AND ESTERS WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed