SCHEMBL29957263

SCHEMBL29957263

COc1ccc(B(O)O)cc1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 1/20 0.51
TSHR P16473 3/20 0.50
NR3C1 P04150 1/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
PTGS1 P23219 1/20 0.44
BACE1 P56817 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
VCP P55072 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ENPP2 Q13822 2/20 0.41

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
SCHEMBL23114 0.83 ENPP2 (0.52) TSHRALDH1A1PTGS1BACE1POLB
SCHEMBL16346292 0.78 TNFSF11 (0.41) TNFSF11TSHRNR3C1RAB9AKDM4E
SCHEMBL29954912 0.78 SMN1; SMN2 (0.48) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL20943078 0.77 HTT (0.46) TSHRKDM4EALDH1A1GAACYP1A2
SCHEMBL6196237 0.77 TNFSF11 (0.56) TNFSF11TSHRNR3C1RAB9AKDM4E
SCHEMBL3327344 0.77 CA12 (0.63) TNFSF11TSHRNR3C1RAB9AKDM4E
SCHEMBL28818319 0.76 ALDH1A1 (0.42) TSHRKDM4EALDH1A1GAACYP1A2
SCHEMBL30016565 0.76 MKNK1 (0.48) KDM4EALDH1A1GAACA1CA2
SCHEMBL27836294 0.75 TSHR (0.56) TNFSF11TSHRNR3C1RAB9AKDM4E
SCHEMBL11401919 0.75 TNFSF11 (0.55) TNFSF11TSHRNR3C1RAB9AKDM4E

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