SCHEMBL30023949

SCHEMBL30023949

CC(C)c1ccc(C(=O)c2cc(O)c(O)cc2Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
POLB P06746 1/20 0.41
RXRA P19793 1/20 0.41
TYR P14679 1/20 0.41
CYP2C9 P11712 1/20 0.40
SNCA P37840 2/20 0.40
USP5 P45974 1/20 0.39
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DBH P09172 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL30023374 0.79 CNR1 (0.48) CNR1CNR2POLBTYRCYP2C9
SCHEMBL19003400 0.78 SNCA (0.53) POLBCYP2C9SNCAGAAKDM4E
SCHEMBL11012667 0.78 GAA (0.55) POLBCYP2C9SNCAGAAKDM4E
SCHEMBL29238849 0.77 SIRT1 (0.61) CNR1CNR2POLBRXRASNCA
SCHEMBL30374720 0.75 MEN1 (0.62) CNR1CNR2GAAKDM4ENPC1
SCHEMBL5710374 0.75 MEN1 (0.62) CNR1CNR2GAAKDM4ENPC1
SCHEMBL11858542 0.75 LIG1 (0.65) CNR1CNR2TYRCYP2C9BCL2
SCHEMBL1148332 0.74 CNR1 (0.58) CNR1CNR2POLBRXRATYR
SCHEMBL19003635 0.74 SNCA (0.50) CYP2C9SNCARECQLMAPTHPGD
SCHEMBL30023948 0.73 KDM4E (0.56) CNR1CNR2TYRCYP2C9USP5

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
CN-115490585-A Polyhydroxy-substituted benzophenone derivative and application thereof in preventing iron death of liver cells 山西医科大学 2022-12-20 CN disclosed