SCHEMBL7062897

SCHEMBL7062897

CC(=O)OCc1cc(CCC(=O)O)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 16/20 0.43
FFAR1 O14842 9/20 0.42
FFAR2 O15552 1/20 0.42
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL9686539 0.82 DRD2 (0.48) FFAR4FFAR1FFAR2PPARADRD2
SCHEMBL29217928 0.81 DRD2 (0.47) FFAR4FFAR1FFAR2PPARADRD2
SCHEMBL8520391 0.79 DRD2 (0.57) FFAR4FFAR1FFAR2PPARDPPARA
SCHEMBL3122490 0.75 DRD2 (0.58) DRD2
SCHEMBL4266308 0.74 FFAR1 (0.53) FFAR4FFAR1
SCHEMBL27742495 0.74 CYP3A4 (0.46) FFAR4FFAR1DRD2
SCHEMBL4548366 0.74 CA12 (0.49) FFAR4FFAR1
SCHEMBL7131231 0.73 THRA (0.43) FFAR4FFAR1
Imidazole SCHEMBL29217979 0.71 DRD2 (0.40) FFAR4FFAR1PPARADRD2
SCHEMBL19490649 0.71 DRD2 (0.46) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072212-A1 Recognition-driven alkylation of biopolymers NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-04-15 US disclosed