SCHEMBL16760950

SCHEMBL16760950

CC1(C)OB(c2cccs2)OC1(C)C.COc1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.40
LIPG Q9Y5X9 2/20 0.40
CYP3A4 P08684 2/20 0.35
APLNR P35414 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 6/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
KMT2A Q03164 5/20 0.34
HPGD P15428 4/20 0.34
MEN1 O00255 4/20 0.34
HSD17B10 Q99714 3/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 2/20 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
SCHEMBL30237979 0.85 CA1 (0.44) LPLLIPGALDH1A1TP53MAPK1
SCHEMBL2774133 0.85 CA1 (0.44) LPLLIPGALDH1A1TP53MAPK1
SCHEMBL121468 0.82 LPL (0.54) LPLLIPGCTNNB1WNT3AMAPK1
SCHEMBL15280673 0.77 LPL (0.40) LPLLIPGCA12CA1CA2
SCHEMBL22131084 0.73 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL24254043 0.73 APP (0.41) LPLLIPGCYP3A4CYP1A2ALDH1A1
SCHEMBL28329737 0.72 CA1 (0.35) LPLLIPGALDH1A1MAPTTP53
SCHEMBL28147238 0.72 EGFR (0.39) LPLLIPGCYP3A4ALDH1A1MAPT
SCHEMBL1870652 0.71 JAK2 (0.38) LPLLIPGCYP3A4ALDH1A1MAPT
SCHEMBL1642097 0.70 EGFR (0.45) LPLLIPGCYP3A4ALDH1A1MAPT

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
EP-2881398-A1 Method for preparing aminoarylborane compounds or derivatives thereof Université de Bordeaux I (FR) 2015-06-10 EP disclosed