SCHEMBL29952965

SCHEMBL29952965

CC(C)NC(=O)c1ccc(F)c(B(O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.49
MLYCD O95822 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
ANPEP P15144 1/20 0.43
PDK2 Q15119 1/20 0.43
ALDH1A1 P00352 4/20 0.42
PADI4 Q9UM07 1/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
XDH P47989 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL319208 1.00 ERN1 (0.49) ERN1MLYCDNPSR1ANPEPPDK2
SCHEMBL13146304 0.83 MLYCD (0.54) ERN1MLYCDNPSR1ANPEPPDK2
SCHEMBL31079673 0.83 MLYCD (0.54) ERN1MLYCDNPSR1ANPEPPDK2
SCHEMBL3995737 0.81 HDAC6 (0.46) PDK2HPGD
SCHEMBL29919394 0.81 HDAC6 (0.46) PDK2HPGD
SCHEMBL29957663 0.81 KDM4E (0.39) ERN1ALDH1A1PADI4CYP1A2CYP2C19
SCHEMBL10260172 0.80 MLYCD (0.51) ERN1MLYCDNPSR1ANPEPPDK2
SCHEMBL29956750 0.80 KDM4E (0.47) ALDH1A1PADI4LMNACYP1A2CYP2C19
SCHEMBL15148434 0.79 ALDH1A1 (0.52) ALDH1A1LMNACYP1A2CYP2C19TAS1R3
SCHEMBL25031639 0.79 ALDH1A1 (0.51) ERN1MLYCDNPSR1ANPEPPDK2

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