SCHEMBL29953064

SCHEMBL29953064

CCCOc1cc(C)cc(B(O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.43
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
LTA4H P09960 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KMT2A Q03164 2/20 0.36
ENPP2 Q13822 1/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
PLA2G2A P14555 1/20 0.33
CA2 P00918 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
PLK1 P53350 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL29953152 0.91 TP53 (0.41) ELANETP53ALOX15LTA4HPLA2G2A
SCHEMBL3790617 0.89 LTA4H (0.41) ELANELTA4HPTGS1PTGS2KMT2A
SCHEMBL12982504 0.85 NQO1 (0.38) TP53ALOX15LTA4HKMT2AENPP2
SCHEMBL29953751 0.82 ENPP2 (0.46) LTA4HKMT2AENPP2MEN1ALDH1A1
SCHEMBL3785254 0.81 TSHR (0.39) ELANETP53LTA4HKMT2AENPP2
SCHEMBL16687415 0.81 MAPT (0.36) ELANELTA4HPTGS1PTGS2KMT2A
SCHEMBL29778385 0.81 MAPT (0.43) ELANETP53LTA4HPTGS1PTGS2
SCHEMBL14489702 0.80 ELANE (0.49) ELANETP53ALOX15LTA4HPTGS1
SCHEMBL9123683 0.80 ELANE (0.49) ELANETP53ALOX15LTA4HPTGS1
SCHEMBL3786397 0.79 PLA2G2A (0.47) TP53LTA4HPLA2G2ACA2LPL

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