SCHEMBL7112092

SCHEMBL7112092

COc1c(C)cccc1[S+]([O-])c1cccc(C)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN4A P35499 7/20 0.33
CYP1A2 P05177 3/20 0.33
LMNA P02545 2/20 0.33
SCN1A P35498 2/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
NFKB1 P19838 2/20 0.33
SCN8A Q9UQD0 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.33
KCNK3 O14649 1/20 0.33
CACNA1F O60840 1/20 0.33
KCNK2 O95069 1/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL6907994 0.79 SMN1; SMN2 (0.45) ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2
SCHEMBL145464 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMAPK1SMN1; SMN2SCN4A
SCHEMBL3200971 0.75 SMN1; SMN2 (0.35) ALDH1A1KDM4EMAPK1SMN1; SMN2SCN4A
SCHEMBL3676327 0.73 TRPA1 (0.42) ALDH1A1SMN1; SMN2CYP1A2CYP3A4TSHR
Methyl Alcohol SCHEMBL28303521 0.72 ALDH1A1 (0.46) ALDH1A1KDM4EMAPK1SMN1; SMN2SCN4A
SCHEMBL29468607 0.72 TSHR (0.47) ALDH1A1CYP1A2LMNACYP3A4TSHR
SCHEMBL235850 0.72 TSHR (0.47) ALDH1A1CYP1A2LMNACYP3A4TSHR
Cyanide SCHEMBL27893752 0.70 ALDH1A1 (0.42) ALDH1A1KDM4EMAPK1SMN1; SMN2SCN4A
SCHEMBL4136348 0.70 ACHE (0.37) ALDH1A1CYP1A2TSHRCYP2A6CA1
SCHEMBL7112350 0.70 CYP2A6 (0.35) ALDH1A1CYP1A2TSHRCYP2A6CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794218-B1 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENG PLASTICS CORP (JP) 2003-10-15 EP disclosed
EP-0753540-B1 Polycarbonate resin composition MITSUBISHI ENG PLASTICS CORP (JP) 2003-06-11 EP disclosed
US-6359028-B1 USED IN MEDICAL EQUIPMENT, DISCOLORATION INHIBITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2002-03-19 US disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 US disclosed
US-5977206-A Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-11-02 US disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed
EP-0753540-A2 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-01-15 EP disclosed