SCHEMBL29952571

SCHEMBL29952571

COc1cccc(C=O)c1OC(C)C(=O)NC1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
SRC P12931 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ERN1 O75460 2/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
NFE2L2 Q16236 2/20 0.40
CASP6 P55212 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
SCHEMBL29954062 0.84 HPGD (0.62) HPGDMAPTHTTGAAKDM4E
SCHEMBL2556723 0.84 SRC (0.51) HPGDSRCMAPTERN1TLR2
SCHEMBL2560107 0.83 SRC (0.50) HPGDSRCERN1TLR2TLR1
SCHEMBL20068035 0.81 SRC (0.54) HPGDSRCMAPTHTTERN1
SCHEMBL2555657 0.81 SRC (0.48) HPGDSRCHTTERN1TLR2
SCHEMBL29954241 0.81 SRC (0.48) HPGDSRCMTNR1AMTNR1BHTT
SCHEMBL29950864 0.80 ALDH1A1 (0.57) HPGDSRCGAAKDM4ENPC1
SCHEMBL15331107 0.79 KMT2A (0.58) HPGDSRCERN1TLR2TLR1
SCHEMBL29956063 0.79 HPGD (0.70) HPGDMAPTHTTKDM4EKMT2A
SCHEMBL2562126 0.79 SRC (0.46) HPGDSRCHTTERN1TLR2

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