SCHEMBL7615684

SCHEMBL7615684

COc1ccc(C(NCCC(=O)OC[C@H](N)CO)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.49
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ GPR88 Q9GZN0 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KCNH2 Q12809 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
SCHEMBL6750471 0.79 KIF11 (0.47) KIF11ALDH1A1NPC1RAB9ALMNA
SCHEMBL6854133 0.79 KIF11 (0.47) KIF11ALDH1A1NPC1RAB9ALMNA
SCHEMBL10276699 0.78 KIF11 (0.46) KIF11ALDH1A1NPC1RAB9ALMNA
SCHEMBL12225852 0.75 KIF11 (0.49) KIF11MAPTALDH1A1MEN1KMT2A
SCHEMBL4363002 0.75 KIF11 (0.49) KIF11MAPTALDH1A1MEN1KMT2A
SCHEMBL14356107 0.74 KIF11 (0.49) KIF11ALDH1A1MEN1KMT2ANPC1
SCHEMBL30610089 0.74 KIF11 (0.49) KIF11ALDH1A1MEN1KMT2ANPC1
SCHEMBL9040716 0.74 KIF11 (0.50) KIF11MAPTALDH1A1MEN1KMT2A
Succinic Acid SCHEMBL6854675 0.74 KIF11 (0.54) KIF11NPC1RAB9AKCNH2
SCHEMBL28885052 0.73 KIF11 (0.49) KIF11ALDH1A1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165569-A1 BORONIC ACID CONTAINING REAGENTS AND OLIGONUCLEOTIDES Agilent Technologies, Inc. (US) 2002-01-02 — — EP disclosed
WO-2000056740-A1 BORONIC ACID CONTAINING REAGENTS AND OLIGONUCLEOTIDES PROLINX, INC. (US) 2000-09-28 — — WO disclosed
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