SCHEMBL6854711

SCHEMBL6854711

O=C(NC1CC[C@@H](O)[C@@H](O)C1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
GAA P10253 1/20 0.67
TSHR P16473 1/20 0.64
DPP4 P27487 7/20 0.58
DPP7 Q9UHL4 7/20 0.58
KCNH2 Q12809 4/20 0.58
EPHX1 P07099 1/20 0.56
TLR4 O00206 1/20 0.56
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSK P43235 1/20 0.54
CPB1 P15086 2/20 0.51

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
SCHEMBL31206191 1.00 ALDH1A1 (0.67) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL8548058 0.91 ALDH1A1 (0.65) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL6807313 0.91 ALDH1A1 (0.65) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL15428355 0.91 ALDH1A1 (0.65) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL10188288 0.91 ALDH1A1 (0.65) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL2621442 0.91 ALDH1A1 (0.65) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL23871820 0.88 ALDH1A1 (0.66) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL31206027 0.88 ALDH1A1 (0.66) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL23871573 0.88 ALDH1A1 (0.66) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL30151806 0.88 ALDH1A1 (0.62) ALDH1A1GAATSHRDPP4DPP7

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