SCHEMBL6580976

SCHEMBL6580976

CC(C)(C)[Si](Cl)(CCc1ccc(CCl)cc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ESRRG P62508 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TTR P02766 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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
SCHEMBL8712343 0.79 TDP1 (0.33) TDP1NPC1RAB9ATTRALDH1A1
SCHEMBL9745800 0.74 NR1H2 (0.32) ALDH1A1
SCHEMBL31053112 0.73 CA1 (0.31)
SCHEMBL9746360 0.70 TP53 (0.33) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL4848439 0.70 CA2 (0.34) LMNA
SCHEMBL4848522 0.70 CA2 (0.34) LMNA
SCHEMBL926567 0.69 CA2 (0.37)
SCHEMBL2990802 0.69 MAOB (0.56) TDP1ALDH1A1ALOX12
(Chloromethyl)Benzene SCHEMBL4637240 0.69 TP53 (0.50) TDP1MAPTALDH1A1LMNA
SCHEMBL31029241 0.67 ALDH1A1 (0.42) POLBESRRGTDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261613-B1 GASTRO-SPECIFIC PRODRUGS PHARMACIA CORP (US) 2004-05-06 EP disclosed
EP-1261613-A1 GASTRO-SPECIFIC PRODRUGS Pharmacia Corporation (US) 2002-12-04 EP disclosed
US-6413945-B1 REACTION PRODUCT OF ORGANOSILICON COMPOUNDS AND DRUG; ANTIULCER AGENTS PHARMACIA CORPORATION 2002-07-02 US disclosed
WO-2001064690-A1 GASTRO-SPECIFIC PRODRUGS PHARMACIA CORPORATION (US) 2001-09-07 WO disclosed
US-6030959-A FOR TREATMENT AND PROPHYLAXIS OF GASTRIC ULCERS MONSANTO COMPANY (US) 2000-02-29 US disclosed