SCHEMBL29639145

SCHEMBL29639145

C1=Cc2ccccc2C(c2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAOB P27338 5/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX5 P09917 1/20 0.43
PARP10 Q53GL7 1/20 0.42
BCHE P06276 1/20 0.42
HTR1A P08908 1/20 0.42

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
SCHEMBL3000297 0.80 MEN1 (0.38)
SCHEMBL29690123 0.80 MEN1 (0.38)
SCHEMBL10272647 0.74 MRGPRX4 (0.64) SLC6A2SLC6A3LMNACYP1A2PTGS1
SCHEMBL27552179 0.71 MAOB (0.50) SLC6A2SLC6A3LMNACYP1A2PTGS1
SCHEMBL27367676 0.71 LMNA (0.82) SLC6A2SLC6A3LMNACYP1A2PTGS1
SCHEMBL339813 0.71 LMNA (0.82) SLC6A2SLC6A3LMNACYP1A2PTGS1
SCHEMBL24055884 0.70 ALDH1A1 (0.33) SLC6A2PTGS1PTGS2MAOBL3MBTL1
SCHEMBL5249481 0.70 HRH3 (0.60) SLC6A2SLC6A3LMNACYP1A2PTGS1
SCHEMBL27038186 0.70 LMNA (0.53) SLC6A2SLC6A3LMNACYP1A2PTGS1
SCHEMBL27037284 0.70 MAOB (0.59) SLC6A2SLC6A3LMNACYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437008-B Synthesis method of (R) -3-phenyl-3-hydroxymethyl-2, 3-dihydrobenzofuran compound 常州大学 2023-07-25 CN disclosed
CN-114437008-A Synthesis method of (R) -3-phenyl-3-hydroxymethyl-2, 3-dihydrobenzofuran compound 常州大学 2022-05-06 CN disclosed