SCHEMBL30003449

SCHEMBL30003449

COc1ccc(OC)c2c1C(=O)C=C(C)C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
ALDH1A1 P00352 5/20 0.64
HTT P42858 2/20 0.64
APAF1 O14727 1/20 0.64
MITF O75030 1/20 0.64
LMNA P02545 1/20 0.64
KDM4E B2RXH2 4/20 0.53
MAPK1 P28482 4/20 0.53
RAB9A P51151 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
S1PR4 O95977 1/20 0.53
HSP90AA1 P07900 1/20 0.53
G6PD P11413 1/20 0.53
S1PR1 P21453 1/20 0.53
OPRK1 P41145 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
MCL1 Q07820 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
TLR9 Q9NR96 1/20 0.53

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
SCHEMBL23271796 1.00 MAPT (0.64) MAPTALDH1A1HTTAPAF1MITF
SCHEMBL30004035 0.80 MAPT (0.53) MAPTALDH1A1HTTAPAF1MITF
SCHEMBL5820458 0.80 MAPT (0.53) MAPTALDH1A1HTTAPAF1MITF
SCHEMBL30003138 0.78 MAPT (0.52) MAPTALDH1A1HTTAPAF1MITF
SCHEMBL30003483 0.78 MAPT (0.62) MAPTALDH1A1HTTAPAF1MITF
SCHEMBL23271773 0.78 MAPT (0.52) MAPTALDH1A1HTTAPAF1MITF
SCHEMBL14662840 0.78 MAPT (0.62) MAPTALDH1A1HTTAPAF1MITF
SCHEMBL9176608 0.78 MAPT (0.52) MAPTALDH1A1HTTAPAF1MITF
SCHEMBL15745741 0.78 MAPT (0.55) MAPTALDH1A1HTTAPAF1MITF
SCHEMBL30002739 0.78 MAPT (0.52) MAPTALDH1A1HTTAPAF1MITF

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