SCHEMBL30628484

SCHEMBL30628484

CC(C)(O)Oc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 5/20 0.49
POLB P06746 1/20 0.46
UBE2N P61088 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.45
HDAC6 Q9UBN7 2/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LIPE Q05469 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL13412635 0.80 ALOX5 (0.63) LMNAHDAC6CYP1A2PTGS1SLC6A2
SCHEMBL9434950 0.78 HTR2C (0.48) C5AR1POLBUBE2NKMT2ALMNA
SCHEMBL30779646 0.76 ALOX5 (0.50) LMNAHDAC6CYP1A2PTGS1SLC6A2
SCHEMBL4063734 0.76 ALOX5 (0.50) LMNAHDAC6CYP1A2PTGS1SLC6A2
SCHEMBL9434450 0.75 C5AR1 (0.48) C5AR1POLBUBE2NKMT2AMAPT
SCHEMBL13791570 0.74 MAOB (0.62) KMT2ALMNAHDAC6KDM4ESMN1; SMN2
SCHEMBL2090976 0.74 MAOB (0.62) KMT2ALMNAHDAC6KDM4ESMN1; SMN2
SCHEMBL18623122 0.74 MAOB (0.62) KMT2ALMNACYP1A2KDM4ENPC1
SCHEMBL12772071 0.74 MAOB (0.62) KMT2ACYP1A2KDM4ENPC1HPGD
SCHEMBL19483249 0.74 MRGPRX4 (0.55) C5AR1POLBUBE2NKMT2ALMNA

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-112424159-B Novel P62 ligand compound and composition for preventing, improving or treating protein conformational diseases comprising the same 普罗泰克株式会社 2023-10-31 CN disclosed