SCHEMBL29955852

SCHEMBL29955852

CCN1Cc2ccc(B(O)O)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HDAC4 P56524 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
ADAM17 P78536 3/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
NPY5R Q15761 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PRF1 P14222 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
SCHEMBL29956886 0.88 ALDH1A1 (0.42) KDM4EALDH1A1HPGDADAM17ALOX15
SCHEMBL29955396 0.88 PRF1 (0.40) ACACBKDM4EHDAC4HDAC1HDAC6
SCHEMBL2559394 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDHDAC4HDAC1
SCHEMBL29953994 0.82 KDM4E (0.37) KDM4EALDH1A1HPGDHDAC4HDAC1
SCHEMBL2627990 0.80 DDB1 (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL10274610 0.78 ACACB (0.44) ACACBKDM4EALDH1A1HPGDHDAC4
SCHEMBL29956413 0.77 LMNA (0.42) KDM4EALDH1A1HDAC6ALOX15TSHR
SCHEMBL8241980 0.76 PARK7 (0.47) ACACBADAM17
SCHEMBL21421527 0.76 ADAM17 (0.48) ACACBKDM4EALDH1A1HPGDHDAC4
SCHEMBL1952399 0.76 ALDH1A1 (0.57) ACACBKDM4EALDH1A1HPGDHDAC4

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