SCHEMBL11784927

SCHEMBL11784927

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 10/20 0.65
▸ CYP1A2 P05177 2/20 0.59
▸ PPARA Q07869 2/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ HTR2A P28223 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ GSK3B P49841 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 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
SCHEMBL11784919 1.00 FBP1 (0.65) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL20024708 0.89 FBP1 (0.75) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL11785569 0.88 FBP1 (0.67) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL11785564 0.88 FBP1 (0.67) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL11784147 0.85 FBP1 (0.57) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL11532183 0.82 MAPT (0.64) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL11790650 0.82 MAOB (0.67) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL11534737 0.82 MAPT (0.64) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL814688 0.81 PPARA (0.68) FBP1CYP1A2PPARAABCB11CYP3A4
SCHEMBL11783249 0.81 MAOB (0.65) FBP1CYP1A2CYP3A4L3MBTL1ALDH1A1

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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