SCHEMBL7912698

SCHEMBL7912698

COc1ccccc1C(CC(N)CO)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.45
AGTR1 P30556 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTT P42858 3/20 0.37
NR3C2 P08235 1/20 0.36
KCNH2 Q12809 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7912706 0.87 KIF11 (0.41) KIF11AGTR1LMNACYP1A2HTT
SCHEMBL2686112 0.79 KIF11 (0.64) KIF11LMNAHTTKCNH2L3MBTL1
SCHEMBL1263153 0.78 KIF11 (0.43) KIF11AGTR1LMNACYP1A2HTT
SCHEMBL5924883 0.73 CA1 (0.41) KIF11HTTNR3C2KCNH2POLB
SCHEMBL15517406 0.73 LMNA (0.40) KIF11AGTR1LMNACYP1A2HTT
Succinic Acid SCHEMBL8741640 0.72 LMNA (0.40) KIF11AGTR1LMNACYP1A2HTT
SCHEMBL7147413 0.72 HTR1A (0.43) CYP1A2NR3C2NPSR1SMN1; SMN2
SCHEMBL1263157 0.72 KIF11 (0.41) KIF11AGTR1LMNACYP1A2HTT
SCHEMBL7144168 0.72 HTR1A (0.43) CYP1A2NR3C2NPSR1SMN1; SMN2
SCHEMBL1132966 0.71 AGTR1 (0.38) KIF11AGTR1LMNACYP1A2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187913-B1 Covalently crosslinked oligonucleotides, preparation method and synthon which is of use in the method GENSET (FR) 2001-02-13 US disclosed