SCHEMBL30003101

SCHEMBL30003101

CCC1=CC(=O)c2c(OC)ccc(OC)c2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 12/20 0.57
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
S1PR4 O95977 1/20 0.48
HSP90AA1 P07900 1/20 0.48
G6PD P11413 1/20 0.48
S1PR1 P21453 1/20 0.48
OPRK1 P41145 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
MCL1 Q07820 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
TLR9 Q9NR96 1/20 0.48
CDC25A P30304 1/20 0.48
CDC25B P30305 1/20 0.48
ALDH1A1 P00352 3/20 0.47

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
SCHEMBL23271821 1.00 SOAT1 (0.57) SOAT1MAPTKDM4EHTTMAPK1
SCHEMBL30002582 0.80 ALDH1A1 (0.65) SOAT1MAPTKDM4EHTTRAB9A
SCHEMBL11216955 0.80 ALDH1A1 (0.65) SOAT1MAPTKDM4EHTTRAB9A
SCHEMBL30004035 0.76 MAPT (0.53) SOAT1MAPTKDM4EHTTMAPK1
SCHEMBL30003449 0.76 MAPT (0.64) SOAT1MAPTKDM4EHTTMAPK1
SCHEMBL23271796 0.76 MAPT (0.64) SOAT1MAPTKDM4EHTTMAPK1
SCHEMBL5820458 0.76 MAPT (0.53) SOAT1MAPTKDM4EHTTMAPK1
SCHEMBL2484804 0.75 SOAT1 (0.50) SOAT1MAPTKDM4EHTTMAPK1
SCHEMBL14662840 0.74 MAPT (0.62) SOAT1MAPTKDM4EHTTMAPK1
SCHEMBL23271773 0.74 MAPT (0.52) SOAT1MAPTKDM4EHTTMAPK1

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed