SCHEMBL6853728

SCHEMBL6853728

Cc1ccc(SOC(=O)C2CCCN2CCC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.40
HRH3 Q9Y5N1 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
FFAR1 O14842 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
NR1I2 O75469 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6858012 0.72 PIN1 (0.36) LTA4HALDH1A1MAPTKDM4EMEN1
SCHEMBL30828807 0.69 ACE (0.49) LTA4HHRH3MAPTLMNAKDM4E
SCHEMBL3163749 0.67 LTA4H (0.39) LTA4HALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL19360203 0.65 KDM4E (0.49) HRH3ALDH1A1SMN1; SMN2LMNAKDM4E
P-Xylene SCHEMBL28237981 0.65 CYP3A4 (0.53) HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL30977670 0.64 LTA4H (0.46) LTA4HHRH3ALDH1A1SMN1; SMN2
SCHEMBL25620223 0.64 KCNK3 (0.78) HTTALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL2036101 0.64 CD274 (0.53) HRH3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1819166 0.64 CD274 (0.53) HRH3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10272681 0.64 CD274 (0.53) HRH3ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6184389-B1 FEATURE A PLURALITY OF FUNCTIONAL GROUPS ATTACHED TO BACKBONE AND PHOSPHORAMIDATE SITES ISIS PHARMACEUTICALS, INC. 2001-02-06 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed