SCHEMBL28678797

SCHEMBL28678797

COC(=O)C(Oc1ccc(OC)cc1)C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PLK1 P53350 1/20 0.43
MAPT P10636 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ALPL P05186 1/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 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
SCHEMBL16934944 0.84 ALDH1A1 (0.50) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL1475915 0.83 LDHA (0.53) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL6984490 0.80 MEN1 (0.51) SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL15262094 0.80 SLC6A3 (0.43) MAPTPPARGPPARA
SCHEMBL7330916 0.78 MAPT (0.53) CA1CA2SMN1; SMN2NPC1RAB9A
SCHEMBL27504804 0.77 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11402555 0.77 TAS1R3 (0.65) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL16728392 0.77 TAS1R3 (0.65) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL9423676 0.76 LDHA (0.64) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL903865 0.75 NPC1 (0.46) NPC1RAB9APPARGPPARAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 CN disclosed
CN-113999232-A MAT2A inhibitors 南京正大天晴制药有限公司 2022-02-01 CN disclosed