SCHEMBL29953564

SCHEMBL29953564

CCN(Cc1ccccc1)C(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
LMNA P02545 2/20 0.57
LIMK1 P53667 1/20 0.56
LIMK2 P53671 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
PPARG P37231 1/20 0.53
OPRD1 P41143 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LPAR1 Q92633 3/20 0.50
LPAR5 Q9H1C0 3/20 0.50

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
SCHEMBL177442 0.91 KMT2A (0.61) HDAC1HDAC6LMNATSHRALDH1A1
SCHEMBL25138742 0.89 HDAC1 (0.71) HDAC1HDAC6LMNALIMK1LIMK2
SCHEMBL1004019 0.85 HDAC1 (0.71) HDAC1HDAC6LMNALIMK1LIMK2
SCHEMBL133138 0.85 HPGD (0.58) LMNAALDH1A1HPGDMAPTMEN1
SCHEMBL257636 0.83 KMT2A (0.62) HDAC1HDAC6LIMK1LIMK2TSHR
SCHEMBL3455861 0.81 HDAC1 (0.67) HDAC1HDAC6LMNALIMK1LIMK2
SCHEMBL3178210 0.80 HDAC1 (0.65) HDAC1HDAC6LMNALIMK1LIMK2
SCHEMBL257889 0.79 NPC1 (0.63) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL8359492 0.78 KMT2A (0.76) HDAC1HDAC6LMNATSHRALDH1A1
SCHEMBL3836681 0.77 LMNA (0.72) HDAC1HDAC6LMNATSHRMAPK1

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