SCHEMBL29953032

SCHEMBL29953032

CCC(CC)N(C)Cc1cc(B(O)O)ccc1OC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ENPP2 Q13822 3/20 0.36
HTR7 P34969 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
AOC3 Q16853 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL18706356 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1ENPP2HTR7
SCHEMBL21396 0.78 ENPP2 (0.44) ALDH1A1KMT2AMEN1ENPP2CA1
SCHEMBL29953500 0.77 HTR7 (0.38) ALDH1A1ENPP2HTR7PKMALOX15
SCHEMBL29954950 0.77 HTR1A (0.42) ALDH1A1ENPP2PKMALOX15CA1
SCHEMBL29953347 0.75 BCHE (0.41) ALDH1A1KMT2AMEN1ENPP2PKM
SCHEMBL29950621 0.75 PKM (0.44) ALDH1A1KMT2AMEN1ENPP2PKM
SCHEMBL29954150 0.75 CHRM2 (0.40) ALDH1A1KMT2AMEN1ENPP2AOC3
SCHEMBL29952179 0.75 CHRM2 (0.50)
SCHEMBL18529899 0.75 PDE4A (0.46) ENPP2CA1CA2
SCHEMBL24021238 0.73 ENPP2 (0.42) ENPP2CA1CA2

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