SCHEMBL9554334

SCHEMBL9554334

Oc1ccc(C2(c3ccc(OCc4ccccc4)cc3)CCCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
CYP1A2 P05177 1/20 0.65
PTGS1 P23219 1/20 0.65
SLC6A2 P23975 1/20 0.65
CYP2C19 P33261 1/20 0.65
PTGS2 P35354 1/20 0.65
SLC6A3 Q01959 1/20 0.65
HIF1A Q16665 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
ESR1 P03372 2/20 0.59
ESR2 Q92731 2/20 0.59
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
BLM P54132 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
ATM Q13315 1/20 0.50
RORC P51449 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48

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
SCHEMBL12356795 0.95 LMNA (0.67) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL30988239 0.86 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL24920664 0.82 LMNA (0.65) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL17072362 0.82 LMNA (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10041856 0.82 LMNA (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL16882932 0.81 ESR1 (0.67) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1257898 0.81 ESR1 (0.83) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL23506629 0.81 ESR1 (0.83) ESR1ESR2MEN1KMT2AL3MBTL1
SCHEMBL1257273 0.81 ESR1 (0.83) ESR1ESR2MEN1KMT2AL3MBTL1
Phenol SCHEMBL29040626 0.81 ESR1 (0.83) LMNAESR1ESR2MAPTMEN1

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
JP-5221911-A None JP disclosed
JP-H05221911-A PHENOLIC COMPOUND MITSUI TOATSU CHEM INC 1993-08-31 JP disclosed