SCHEMBL11785564

SCHEMBL11785564

CCOC(=O)C(C)(C)Oc1ccc(/C=C/C(C)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 11/20 0.67
▸ PPARA Q07869 3/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ HTR2A P28223 1/20 0.61
▸ PMP22 Q01453 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46

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
SCHEMBL11785569 1.00 FBP1 (0.67) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL20024708 0.90 FBP1 (0.75) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL11784919 0.88 FBP1 (0.65) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL11784927 0.88 FBP1 (0.65) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL11534737 0.83 MAPT (0.64) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL11790650 0.83 MAOB (0.67) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL11532183 0.83 MAPT (0.64) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL814688 0.82 PPARA (0.68) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL11783249 0.82 MAOB (0.65) FBP1CYP1A2CYP3A4L3MBTL1ALDH1A1
SCHEMBL11786129 0.81 ABCB11 (0.70) FBP1PPARACYP1A2ABCB11CYP3A4

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-3994955-A Substituted phenoxydialkylacetic acids and esters G. D. SEARLE & CO. (US) 1976-11-30 — — US disclosed
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