SCHEMBL8548230

SCHEMBL8548230

CCOCCOc1cc[n+]([O-])c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.35
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR6 P50406 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8503288 0.86 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL2992927 0.85 MAPT (0.37) ALDH1A1SMN1; SMN2MAPT
SCHEMBL2989585 0.84 ALDH1A1 (0.35) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL2987015 0.83 CYP2C9 (0.40)
SCHEMBL2983769 0.82 MAPT (0.36) ALDH1A1LMNAMAPTNPSR1
SCHEMBL6839830 0.81 TDP1 (0.44) MAPK14ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL2984245 0.81 MEN1 (0.38) LMNAMAPTNPSR1
SCHEMBL2990341 0.81 MEN1 (0.38) LMNAMAPTNPSR1
SCHEMBL2985373 0.81 MEN1 (0.38) LMNAMAPTNPSR1
SCHEMBL2992892 0.81 MEN1 (0.38) LMNAMAPTNPSR1

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
US-5708013-A BENZIMIDAZOLESULFOXIDE DERIVATIVES EISAI CO., LTD. (JP) 1998-01-13 US disclosed
EP-0295603-B1 Benzimidazol derivatives and therapeutic agent for ulcer comprising the same EISAI CO LTD (JP) 1996-09-18 EP disclosed
EP-0295603-A1 Benzimidazol derivatives and therapeutic agent for ulcer comprising the same Eisai Co., Ltd. (JP) 1988-12-21 EP disclosed