SCHEMBL29952540

SCHEMBL29952540

CC(C)Oc1ccc(B(O)O)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.43
PARP10 Q53GL7 1/20 0.42
POLB P06746 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
PTGDR Q13258 1/20 0.38
BRD4 O60885 1/20 0.38
BRPF1 P55201 1/20 0.38
RORC P51449 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 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
SCHEMBL3606391 1.00 ALDH1A1 (0.44) ALDH1A1KMT2APARP10POLBFFAR4
SCHEMBL29953057 0.85 ALDH1A1 (0.44) ALDH1A1KMT2APARP10POLBFFAR4
SCHEMBL17592670 0.85 ALDH1A1 (0.44) ALDH1A1KMT2APARP10POLBFFAR4
SCHEMBL5638960 0.84 MAPT (0.41) ALDH1A1KMT2APOLBFFAR4GAA
SCHEMBL31094911 0.84 MAPT (0.41) ALDH1A1KMT2APOLBFFAR4GAA
SCHEMBL15193542 0.79 ALDH1A1 (0.46) ALDH1A1KMT2APARP10POLBFFAR4
SCHEMBL29636289 0.79 ALDH1A1 (0.46) ALDH1A1KMT2APARP10POLBFFAR4
SCHEMBL29807652 0.79 ENPP2 (0.48) ALDH1A1KMT2AGAAKDM4EMAPT
SCHEMBL41797 0.79 ENPP2 (0.48) ALDH1A1KMT2AGAAKDM4EMAPT
SCHEMBL3721647 0.79 LMNA (0.53) ALDH1A1KMT2APARP10POLBFFAR4

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