SCHEMBL8760892

SCHEMBL8760892

CC(C)(c1ccc(O)cc1)c1ccc(OCCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
ESR1 P03372 2/20 0.56
CYP3A4 P08684 2/20 0.56
ESR2 Q92731 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
SLC6A2 P23975 2/20 0.53
SLC6A3 Q01959 2/20 0.53
CYP2C19 P33261 2/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
FFAR1 O14842 1/20 0.51
KDM4E B2RXH2 5/20 0.51
POLB P06746 3/20 0.51
MEN1 O00255 3/20 0.50

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
SCHEMBL1833211 0.87 LMNA (0.68) ESR1ESR2SLC6A2SLC6A3CYP2C19
SCHEMBL6059951 0.86 SLC6A2 (0.73) ALDH1A1ESR1CYP3A4ESR2SMN1; SMN2
SCHEMBL10212090 0.82 RAB9A (0.61) SMN1; SMN2CYP2C19LMNANPC1RAB9A
SCHEMBL9304539 0.81 MCL1 (0.51) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL9374564 0.80 FFAR1 (0.59) ALDH1A1ESR1ESR2SLC6A2SLC6A3
SCHEMBL13567687 0.79 LTA4H (0.68) ALDH1A1ESR1CYP3A4ESR2SMN1; SMN2
SCHEMBL10328457 0.79 LTA4H (0.68) ALDH1A1ESR1CYP3A4ESR2SMN1; SMN2
SCHEMBL904493 0.79 CYP3A4 (0.60) ALDH1A1ESR1CYP3A4ESR2SMN1; SMN2
SCHEMBL1837433 0.79 LMNA (0.66) ESR1SLC6A2SLC6A3CYP2C19LMNA
SCHEMBL10013799 0.79 LMNA (0.60) SMN1; SMN2SLC6A2SLC6A3CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60165290-A None JP disclosed
EP-0497465-B1 Record material APPLETON PAPER INC (US) 1997-06-04 EP disclosed
JP-S60165290-A THERMAL RECORDING SHEET MITSUBISHI PAPER MILLS LTD 1985-08-28 JP disclosed