SCHEMBL8551540

SCHEMBL8551540

CCOCCOc1ccnc(CCl)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.38
L3MBTL1 Q9Y468 4/20 0.34
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
DDAH1 O94760 1/20 0.33
LMNA P02545 1/20 0.33
HTR1A P08908 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
IDE P14735 1/20 0.33
ADRA2B P18089 1/20 0.33
TBXA2R P21731 1/20 0.33
ACHE P22303 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
NPY1R P25929 1/20 0.33
ADORA1 P30542 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 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
Hydrochloric Acid SCHEMBL8977304 0.98 NCF1 (0.37) NCF1L3MBTL1CYP2C9ALDH1A1HPGD
SCHEMBL31515444 0.92 L3MBTL1 (0.36) NCF1L3MBTL1CYP2C9ALDH1A1HPGD
SCHEMBL8502115 0.88 L3MBTL1 (0.33) NCF1L3MBTL1CYP2C9ALDH1A1HPGD
SCHEMBL10335446 0.85 SMN1; SMN2 (0.44) L3MBTL1CYP2C9ALDH1A1HPGDLMNA
SCHEMBL8500161 0.85 L3MBTL1 (0.35) L3MBTL1ALDH1A1HPGDDDAH1LMNA
SCHEMBL8553563 0.84 NCF1 (0.38) NCF1L3MBTL1CYP2C9ALDH1A1HPGD
SCHEMBL27971566 0.84 CYP2C9 (0.40) CYP2C9ALDH1A1HPGDDDAH1LMNA
Hydrochloric Acid SCHEMBL10713305 0.84 ALDH1A1 (0.39) CYP2C9ALDH1A1HPGDDDAH1LMNA
SCHEMBL8551045 0.84 ALDH1A1 (0.41) L3MBTL1CYP2C9ALDH1A1HPGDDDAH1
SCHEMBL6861334 0.83 MAPT (0.35) CYP2C9ALDH1A1HPGDDDAH1LMNA

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