SCHEMBL4459829

SCHEMBL4459829

CC(c1ccc(OC(C)(C)C)cc1)C(O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.47
▸ PPARA Q07869 6/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ELANE P08246 1/20 0.40
▸ AKR1C3 P42330 4/20 0.37
▸ AKR1C2 P52895 4/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ PTGS1 P23219 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CDC42 P60953 1/20 0.37
▸ RAC1 P63000 1/20 0.37
▸ SLC22A6 Q4U2R8 1/20 0.37
▸ PPARG P37231 4/20 0.36
▸ FABP2 P12104 1/20 0.36

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
SCHEMBL4460120 0.81 ACACB (0.45) ACACBPPARACYP1A2MEN1CYP3A4
SCHEMBL6055221 0.76 ACACB (0.47) ACACBPPARACYP1A2MEN1CYP3A4
SCHEMBL28776058 0.75 ACACB (0.51) ACACBPPARACYP1A2MEN1CYP3A4
SCHEMBL18287905 0.74 ELANE (0.55) ACACBPPARACYP1A2MEN1CYP3A4
SCHEMBL7525226 0.74 LMNA (0.54) CYP2D6PTGS2LMNAHPGDMAPK1
SCHEMBL10024370 0.74 LMNA (0.54) CYP2D6PTGS2LMNAHPGDMAPK1
SCHEMBL180160 0.74 LMNA (0.54) CYP2D6PTGS2LMNAHPGDMAPK1
SCHEMBL5316315 0.74 ACACB (0.50) ACACBPPARACYP1A2MEN1CYP3A4
SCHEMBL14465787 0.74 ACACB (0.50) ACACBPPARACYP1A2MEN1CYP3A4
SCHEMBL24360844 0.73 GABBR2 (0.44) ACACBPPARACYP1A2MEN1CYP3A4

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-20090029429-A1 Process for Producing Optically Active 2-Substituent-Oxy-3-(4-Substituent-Oxyphenyl) Propionic Acid Derivative KANEKA CORPORATION (JP) 2009-01-29 — — US disclosed
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