SCHEMBL29950841

SCHEMBL29950841

CCCOC(=O)c1cccc(B(O)O)c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.50
ESR1 P03372 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
KDR P35968 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
JMJD6 Q6NYC1 1/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL29953905 0.91 L3MBTL1 (0.54) LMNATSHRESR1TDP1HPGD
SCHEMBL878699 0.91 L3MBTL1 (0.54) LMNATSHRESR1TDP1HPGD
SCHEMBL5568364 0.90 LMNA (0.53) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL361141 0.87 CYP4F2 (0.54) LMNAALDH1A1TSHRESR1KDM4E
SCHEMBL111664 0.85 LMNA (0.75) LMNAALDH1A1TSHRESR1CHRM1
SCHEMBL4214601 0.84 SERPINE1 (0.43) LMNAALDH1A1TSHRTDP1KDM4E
SCHEMBL522694 0.81 LMNA (0.64) LMNAALDH1A1TSHRESR1CHRM1
SCHEMBL5165716 0.80 LMNA (0.68) LMNAALDH1A1TSHRESR1CHRM1
SCHEMBL18541492 0.80 ALDH1A1 (0.66) LMNAALDH1A1TSHRESR1CHRM1
SCHEMBL1586281 0.80 ALDH1A1 (0.50) ALDH1A1TSHRJMJD6

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