SCHEMBL29952183

SCHEMBL29952183

Cc1cc(OCC(C)C)cc(B(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
ENPP2 Q13822 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
CA2 P00918 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ABL1 P00519 1/20 0.32
PDK2 Q15119 1/20 0.31
MAOA P21397 1/20 0.31
XDH P47989 1/20 0.31
MEN1 O00255 1/20 0.31
ALOX12 P18054 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL1417094 0.81 MAPT (0.34) KMT2AMAPTTSHRENPP2POLB
SCHEMBL29956154 0.81 MAOB (0.36) MAPTTSHRENPP2POLBHPGD
SCHEMBL17648572 0.81 FFAR4 (0.40) MAPTENPP2POLBHPGDXBP1
SCHEMBL14465626 0.81 KMT2A (0.40) KMT2AADRB2ADRB1MAPTTSHR
SCHEMBL12982504 0.80 NQO1 (0.38) KMT2AENPP2HPGDCA2LPL
SCHEMBL29955339 0.78 CCR6 (0.38) MAPTENPP2POLBHPGDXBP1
SCHEMBL29953064 0.77 ELANE (0.43) KMT2AENPP2CA2LPLLIPG
SCHEMBL29955737 0.77 ENPP2 (0.36) KMT2AMAPTENPP2POLBCA2
SCHEMBL17204240 0.77 ALDH1A1 (0.44) KMT2AADRB2ADRB1MAPTTSHR
SCHEMBL29953152 0.76 TP53 (0.41) TSHRCA2LPLLIPGTP53

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed