SCHEMBL29957748

SCHEMBL29957748

CC(C)N(C(=O)c1ccncc1B(O)O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.37
KDM6B O15054 3/20 0.37
TSHR P16473 1/20 0.37
PREP P48147 2/20 0.36
FAP Q12884 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4A O75164 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2690224 1.00 KDM4C (0.37) KDM4CKDM6BTSHRPREPFAP
SCHEMBL22684071 0.81 KDM5A (0.39) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL22489729 0.77 LMNA (0.42) KDM4CKDM6BTSHRHPGDKDM4E
SCHEMBL5787508 0.76 SIRT3 (0.37) KDM4CKDM6BTSHRHPGDNPSR1
SCHEMBL1477106 0.76 P2RX4 (0.47) TSHRHPGDNPSR1MCOLN3KDM4E
SCHEMBL22684034 0.75 KDM4C (0.55) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL29955427 0.75 KDM4C (0.55) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL26258433 0.75 KDM4C (0.42) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL8828511 0.75 ROCK2 (0.47) KDM4CKDM6BTSHRTDP1SIRT3
SCHEMBL15906582 0.73 TSHR (0.39) KDM4CKDM6BTSHRHPGDNPSR1

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