SCHEMBL28640540

SCHEMBL28640540

CCc1c[c]c(O)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
TAAR1 Q96RJ0 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.36
FOS P01100 1/20 0.36
TTR P02766 1/20 0.36
JUN P05412 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
NR3C1 P04150 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
GLA P06280 1/20 0.36
ALOX5 P09917 1/20 0.36
OR51E2 Q9H255 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL11606239 0.85 TNKS2 (0.40) PTGS2TAAR1TSHRMAPK1LMNA
SCHEMBL15063740 0.78 PTGS2 (0.50) PTGS2TAAR1TSHRMAPK1CA2
SCHEMBL9160971 0.75 CYP3A4 (0.48) PTGS2TSHRMAPK1LMNAALOX5
SCHEMBL1639475 0.74 ERN1 (0.43) MAPK1LMNAKMT2AMEN1HTT
SCHEMBL10689989 0.74 ACHE (0.43) PTGS2ALOX5KMT2ASMN1; SMN2CA2
SCHEMBL2164186 0.74 CA12 (0.41) MAPK1CYP1A2SMN1; SMN2CA2ALDH1A1
SCHEMBL901445 0.73 PTGS2 (0.64) PTGS2LMNATNKS2ALOX5KMT2A
SCHEMBL5658885 0.72 MAPT (0.35) PTGS2MAPK1LMNAALOX5KMT2A
SCHEMBL3594844 0.72 ERN1 (0.42) PTGS2ALOX5KMT2AMEN1HTT
Methane SCHEMBL29229953 0.71 PTGS2 (0.61) PTGS2LMNATNKS2ALOX5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113443965-B Method for generating aryl phenol compound by hydrolyzing diaryl ether compound 华东师范大学 2022-09-20 CN claimed
CN-113443965-A Method for generating aryl phenol compound by hydrolyzing diaryl ether compound 华东师范大学 2021-09-28 CN claimed
CN-113443965-B Method for generating aryl phenol compound by hydrolyzing diaryl ether compound 华东师范大学 2022-09-20 CN disclosed
CN-113443965-A Method for generating aryl phenol compound by hydrolyzing diaryl ether compound 华东师范大学 2021-09-28 CN disclosed