SCHEMBL29033404

SCHEMBL29033404

CCCCCCCCCCCCCCCCCCOc1ccccc1C(C)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.58
CYSLTR2 Q9NS75 2/20 0.56
CYSLTR1 Q9Y271 2/20 0.56
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
NR1I2 O75469 1/20 0.53
CHRM2 P08172 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADRA2A P08913 1/20 0.53
MAPT P10636 1/20 0.53
OPRK1 P41145 1/20 0.53
HTR2B P41595 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ALDH1A1 P00352 2/20 0.51
PPARA Q07869 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL8733422 0.93 CYP1A2 (0.53) PPARGCYSLTR2CYSLTR1LMNAMEN1
SCHEMBL11605622 0.90 PPARG (0.60) PPARGCYSLTR2CYSLTR1LMNAMEN1
SCHEMBL9214705 0.86 LMNA (0.61) PPARGCYSLTR2CYSLTR1LMNAMEN1
SCHEMBL2245919 0.84 LMNA (0.62) CYSLTR2CYSLTR1LMNAMEN1NR1I2
SCHEMBL9387360 0.84 LMNA (0.62) CYSLTR2CYSLTR1LMNAMEN1NR1I2
SCHEMBL1964196 0.84 LMNA (0.62) CYSLTR2CYSLTR1LMNAMEN1NR1I2
SCHEMBL29868324 0.84 LMNA (0.62) CYSLTR2CYSLTR1LMNAMEN1NR1I2
SCHEMBL2859001 0.84 LMNA (0.62) CYSLTR2CYSLTR1LMNAMEN1NR1I2
SCHEMBL1778134 0.84 LMNA (0.62) CYSLTR2CYSLTR1LMNAMEN1NR1I2
SCHEMBL9394792 0.84 LMNA (0.62) CYSLTR2CYSLTR1LMNAMEN1NR1I2

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-116026939-A Octadecyloxy ethanol process control detection method 欣凯医药化工中间体(上海)有限公司 2023-04-28 CN disclosed