SCHEMBL1840934

SCHEMBL1840934

CC(C)(C)COCOC=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL28203 0.78
SCHEMBL20544241 0.78 CYP2C19 (0.32) CYP2C19TDP1
SCHEMBL27793476 0.76 CYP2C19 (0.31) CYP2C19
SCHEMBL6177427 0.74 CYP2C19 (0.38) CYP2C19TDP1
Ethylene Glycol SCHEMBL20544240 0.72 CYP2C19 (0.35) CYP2C19TDP1
SCHEMBL344677 0.70
SCHEMBL3812855 0.69
SCHEMBL4398820 0.69
SCHEMBL18191 0.67 CYP2C19 (0.42) CYP2C19TDP1
SCHEMBL2158653 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP disclosed
WO-2010020896-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-25 WO disclosed