SCHEMBL29952914

SCHEMBL29952914

CC(C)(C)Oc1ccc(B(O)O)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ABL1 P00519 1/20 0.37
KDM4E B2RXH2 4/20 0.36
POLB P06746 5/20 0.36
MEN1 O00255 2/20 0.34
CYP2D6 P10635 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARA Q07869 1/20 0.34
KIF11 P52732 1/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
PTPN11 Q06124 2/20 0.34
IGF2BP2 Q9Y6M1 1/20 0.34
PPARG P37231 1/20 0.33
HPGD P15428 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
SCHEMBL29951546 0.81 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KDM4EPOLBMEN1
SCHEMBL14645352 0.81 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KDM4EPOLBMEN1
SCHEMBL28370258 0.79 POLB (0.43) SMN1; SMN2ALDH1A1ABL1KDM4EPOLB
SCHEMBL3950221 0.79 CSNK2A1 (0.52) ALDH1A1KDM4EPOLBMEN1CYP2D6
SCHEMBL5127944 0.76 RXRB (0.49) ALDH1A1KDM4EPOLBAKR1C3AKR1C2
SCHEMBL3800923 0.75 KIF11 (0.38) ABL1MEN1CYP2D6MAPTKMT2A
SCHEMBL2592316 0.75 RARB (0.45) ALDH1A1KDM4E
SCHEMBL2801319 0.74 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1ABL1KDM4EPOLB
SCHEMBL3788717 0.74 KIF11 (0.37) SMN1; SMN2ALDH1A1ABL1KDM4EMEN1
SCHEMBL2588369 0.73 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1MAPTKMT2A

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