SCHEMBL4432581

SCHEMBL4432581

COc1ccc(C(OC(CCO)C2CCCN2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 3/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ SLC6A1 P30531 2/20 0.40
▸ SLC6A11 P48066 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KIF11 P52732 1/20 0.37

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
SCHEMBL4428708 0.82 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A1SLC6A11ALDH1A1
SCHEMBL3693305 0.78 SLC6A11 (0.49) SLC6A3SLC6A2SLC6A4SLC6A1SLC6A11
SCHEMBL17928455 0.73 KIF11 (0.46) SLC6A1SLC6A11ALDH1A1HSD17B10KMT2A
SCHEMBL14405387 0.71 CHRNB4 (0.51) SLC6A1SLC6A11
SCHEMBL26502805 0.71 CHRNB4 (0.51) SLC6A1SLC6A11
SCHEMBL8341127 0.70 SLC6A11 (0.44) SLC6A3SLC6A2SLC6A4SLC6A1SLC6A11
SCHEMBL15019554 0.67 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4HPGDCYP2D6
SCHEMBL4424977 0.67 KIF11 (0.43) SLC6A2SLC6A4ALDH1A1MAPK1MEN1
SCHEMBL715992 0.67 KIF11 (0.50) KIF11
SCHEMBL20833231 0.66 SLC6A2 (0.58) SLC6A3SLC6A2SLC6A4ALDH1A1HPGD

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-2081949-A2 TRIPARTITE OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE Dharmacon, Inc. (US) 2009-07-29 — — EP disclosed
EP-2064223-A2 DUPLEX OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE Dharmacon, Inc. (US) 2009-06-03 — — EP disclosed
WO-2008036825-A2 DUPLEX OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE DHARMACON, INC. (US) 2008-03-27 — — WO disclosed
WO-2008036841-A2 TRIPARTITE OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE DHARMACON, INC. (US) 2008-03-27 — — WO disclosed
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