SCHEMBL9628283

SCHEMBL9628283

O=C(Oc1ccc(S(OS(=O)(=O)C(F)(F)F)(c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
XBP1 P17861 1/20 0.55
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 4/20 0.43
CA9 Q16790 3/20 0.41
ENPP3 O14638 2/20 0.41
ENPP1 P22413 2/20 0.41
ENPP2 Q13822 2/20 0.41
CA12 O43570 2/20 0.41
ALDH1A1 P00352 8/20 0.40
KMT2A Q03164 5/20 0.40
CA2 P00918 1/20 0.40
MEN1 O00255 4/20 0.39
HPGD P15428 2/20 0.39
ATM Q13315 2/20 0.39
STS P08842 1/20 0.38
CYP17A1 P05093 2/20 0.36

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
SCHEMBL16812085 0.78 GAA (0.67) GAAMAPTXBP1TP53LMNA
Trifluoromethanesulfonic Acid SCHEMBL9324835 0.78 MAPT (0.55) GAAMAPTXBP1TP53LMNA
SCHEMBL14651295 0.78 MAPT (0.86) GAAMAPTXBP1TP53LMNA
SCHEMBL1398383 0.76 ALDH1A1 (0.48) GAAPOLBKDM4ECA9ENPP3
SCHEMBL24361072 0.76 MAPT (0.56) GAAMAPTXBP1TP53LMNA
SCHEMBL1830512 0.75 ENPP3 (0.36) GAAMAPTXBP1TP53LMNA
SCHEMBL501576 0.75 ALDH1A1 (0.40) GAAMAPTXBP1LMNAKDM4E
SCHEMBL2887917 0.73 ALDH1A1 (0.45) GAALMNAPOLBKDM4ECA9
SCHEMBL1634162 0.73 GAA (0.72) GAAMAPTXBP1TP53LMNA
SCHEMBL1398386 0.72 ALDH1A1 (0.43) GAAKDM4EALDH1A1KMT2AMEN1

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-3148256-A None JP disclosed
US-5159088-A Photinitiators for cationic polymerization BASF AKTIENGESELLSCHAFT (DE) 1992-10-27 US disclosed
JP-H03148256-A NEW SULFONIUM SALT USEFUL AS PHOTOPOLYMERIZATION INITIATOR BASF AG 1991-06-25 JP disclosed