SCHEMBL6580960

SCHEMBL6580960

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

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL523575 0.82 TDP1 (0.43) TAAR1
SCHEMBL6578242 0.78
SCHEMBL4848522 0.77 CA2 (0.34) CA1CA2TAAR1
SCHEMBL4848439 0.77 CA2 (0.34) CA1CA2TAAR1
SCHEMBL926567 0.76 CA2 (0.37) CA1CA2TAAR1
SCHEMBL6580961 0.73 KMT2A (0.33)
SCHEMBL22825991 0.72 CA2 (0.34) CA1CA2TAAR1
SCHEMBL11848944 0.71 CA1 (0.33) CA1CA2
SCHEMBL11837156 0.70 CA2 (0.35) CA1CA2TAAR1
SCHEMBL13658160 0.69 GFER (0.47) CA1CA2TAAR1

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 7 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-6471955-B1 POLYSTYRENES AS PREFERENTIAL TIME-RELEASE AGENTS OR CARRIERS OF PROSTAGLANDINS SUCH AS MISOPROSTOL USED FOR PREVENTION OF PEPTIC ULCERS PHARMACIA CORPORATION 2002-10-29 US 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
WO-1998044952-A1 pH-SELECTIVE DELIVERY SYSTEM USING CROSS-LINKED POLYMERIC RESINS AS VEHICLES MONSANTO COMPANY (US) 1998-10-15 WO disclosed