SCHEMBL29952389

SCHEMBL29952389

COc1ccc(B(O)O)c(C(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NNMT P40261 2/20 0.35
ENPP2 Q13822 2/20 0.34
TXNRD1 Q16881 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
ACVR2A P27037 1/20 0.32
TGFBR2 P37173 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL5751655 1.00 POLB (0.36) POLBTDP1NNMTENPP2TXNRD1
SCHEMBL22281202 0.89 POLB (0.34) POLBTDP1NNMTTXNRD1SIRT2
SCHEMBL16294781 0.77 POLB (0.38) POLBTDP1NNMTENPP2TXNRD1
SCHEMBL19364178 0.77 POLB (0.38) POLBTDP1NNMTTXNRD1KDM4E
SCHEMBL29956451 0.77 POLB (0.38) POLBTDP1NNMTENPP2TXNRD1
SCHEMBL29653296 0.75 NNMT (0.50) POLBTDP1NNMTENPP2ALDH1A1
SCHEMBL248283 0.75 NNMT (0.50) POLBTDP1NNMTENPP2ALDH1A1
SCHEMBL17586768 0.75 TXNRD1 (0.36) POLBTDP1NNMTTXNRD1SIRT2
SCHEMBL15077682 0.75 KMT2A (0.42) POLBTDP1NNMTTXNRD1ALDH1A1
SCHEMBL321488 0.75 POLB (0.52) POLBTDP1NNMTENPP2ALDH1A1

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