SCHEMBL29370741

SCHEMBL29370741

COc1ccc(C(=O)c2ccccc2)cc1OS(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
HPGD P15428 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
CYP2D6 P10635 1/20 0.60
ALDH1A1 P00352 4/20 0.56
GAA P10253 3/20 0.56
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
ACHE P22303 4/20 0.54
BCHE P06276 3/20 0.54
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 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
SCHEMBL1333620 0.86 CYP1A2 (0.81) CYP1A2CYP2C19HPGDCYP3A4CYP2C9
SCHEMBL28193955 0.83 STS (0.43) CYP1A2CYP2C19HPGDCYP2D6ALDH1A1
SCHEMBL859591 0.81 ALDH1A1 (0.64) CYP1A2CYP2C19HPGDCYP3A4CYP2C9
SCHEMBL25299411 0.80 CYP1A2 (0.66) CYP1A2CYP2C19HPGDCYP3A4CYP2C9
SCHEMBL480337 0.79 LMNA (0.70) CYP1A2CYP2C19HPGDCYP3A4CYP2D6
SCHEMBL29459574 0.79 LMNA (0.70) CYP1A2CYP2C19HPGDCYP3A4CYP2D6
SCHEMBL9364577 0.79 CYP1A2 (0.96) CYP1A2CYP2C19HPGDCYP3A4CYP2C9
SCHEMBL1010387 0.78 CYP1A2 (0.73) CYP1A2CYP2C19HPGDCYP3A4CYP2C9
SCHEMBL30217507 0.78 CA12 (0.71) CYP1A2CYP2C19HPGDCYP3A4CYP2C9
SCHEMBL5271378 0.78 CA12 (0.71) CYP1A2CYP2C19HPGDCYP3A4CYP2C9

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
WO-2022113544-A1 ADHESIVE COMPOSITION FOR COATING-TYPE POLARIZATION ELEMENT, ADHESIVE SHEET FOR COATING-TYPE POLARIZATION ELEMENT, ADHESIVE SHEET FOR IMAGE DISPLAY DEVICE CONSTITUTING MEMBER, ADHESIVE SHEET WITH MOLD RELEASE FILM, ADHESIVE SHEET WITH IMAGE DISPLAY DEVICE CONSTITUTING MEMBER, LAMINATE SHEET, COATING-TYPE POLARIZATION ELEMENT WITH ADHESIVE LAYER, ADHESIVE SHEET WITH POLARIZATION ELEMENT, AND IMAGE DISPLAY DEVICE 三菱ケミカル株式会社 2022-06-02 WO disclosed
WO-2022024806-A1 OPTICAL STRUCTURE AND HEAD-UP DISPLAY 三井化学株式会社 2022-02-03 WO disclosed