SCHEMBL9857709

SCHEMBL9857709

COc1ccc(C(=O)c2ccccc2O)cc1.Cc1ccc(O)c(C(=O)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.62
ALDH1A1 P00352 5/20 0.62
HTT P42858 4/20 0.62
HPGD P15428 4/20 0.62
CYP1A2 P05177 2/20 0.62
PGR P06401 2/20 0.62
SLC6A2 P23975 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2D6 P10635 1/20 0.62
PDE4A P27815 1/20 0.62
MAPK1 P28482 1/20 0.62
HRH1 P35367 1/20 0.62
SLC6A3 Q01959 1/20 0.62
PDE4D Q08499 1/20 0.62
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
CYP3A4 P08684 2/20 0.56
ADORA3 P0DMS8 1/20 0.56
AR P10275 1/20 0.56
CHRM1 P11229 1/20 0.56

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
SCHEMBL29722657 0.86 KMT2A (0.68) LMNAALDH1A1HTTHPGDCYP1A2
SCHEMBL231448 0.86 KMT2A (0.68) LMNAALDH1A1HTTHPGDCYP1A2
SCHEMBL29823118 0.84 CSNK2A1 (0.63) LMNAHTTHPGDMAPTCYP3A4
SCHEMBL147250 0.84 CSNK2A1 (0.63) LMNAHTTHPGDMAPTCYP3A4
SCHEMBL3902536 0.83 LMNA (0.77) LMNAALDH1A1HTTHPGDCYP1A2
SCHEMBL10621924 0.83 CSNK2A1 (0.61) LMNAHTTHPGDMAPTCYP3A4
Mexenone SCHEMBL15327784 0.83 HPGD (0.78) LMNAALDH1A1HTTHPGDCYP1A2
Mexenone SCHEMBL6847100 0.82 LMNA (0.86) LMNAALDH1A1HTTHPGDCYP1A2
Oxybenzone SCHEMBL28230340 0.82 HPGD (0.91) LMNAALDH1A1HTTHPGDCYP1A2
SCHEMBL9002491 0.82 ALDH1A1 (0.65) LMNAALDH1A1HTTHPGDCYP1A2

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
EP-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 EP disclosed