SCHEMBL28435120

SCHEMBL28435120

C=CCC(OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
F2 P00734 1/20 0.41
UTS2R Q9UKP6 1/20 0.40

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
SCHEMBL29009212 0.85 TSHR (0.53) TP53TSHRESR1ESR2SLC6A4
SCHEMBL19999148 0.85 CYP2C19 (0.56) CYP2C19PPARGPPARAESR1ESR2
SCHEMBL11032151 0.85 CYP2C19 (0.56) CYP2C19PPARGPPARAALDH1A1MAPT
SCHEMBL17964196 0.85 CYP2C19 (0.56) CYP2C19PPARGPPARAALDH1A1MAPT
SCHEMBL28948579 0.83 CYP2C19 (0.54) CYP2C19PPARGPPARAALDH1A1MAPT
SCHEMBL713407 0.83 PPARG (0.54) CYP2C19TSHRPPARGPPARAALDH1A1
SCHEMBL12143882 0.82 CYP2C19 (0.53) CYP2C19TSHRPPARGPPARAALDH1A1
SCHEMBL22436286 0.82 CYP2C19 (0.53) CYP2C19TSHRPPARGPPARAALDH1A1
SCHEMBL18426754 0.82 CYP2C19 (0.53) CYP2C19PPARGPPARASMN1; SMN2
SCHEMBL27983309 0.82 CYP2C19 (0.53) CYP2C19TSHRPPARGPPARAALDH1A1

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-105694749-B Pressure-sensitive adhesive sheet for use in semiconductor production 日东电工株式会社 2020-07-24 CN disclosed