SCHEMBL12228620

SCHEMBL12228620

CC(C)(Oc1ccc(NCc2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 12/20 0.68
▸ MAPT P10636 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ PPARG P37231 5/20 0.59
▸ FABP2 P12104 2/20 0.59
▸ SLC22A12 Q96S37 1/20 0.59
▸ PPARD Q03181 5/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ FFAR1 O14842 1/20 0.55
▸ POLB P06746 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ HDAC1 Q13547 1/20 0.51

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
SCHEMBL11449198 1.00 PPARA (0.68) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL12228587 0.93 PPARA (0.64) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL2517708 0.87 PPARG (0.59) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL12228657 0.86 FFAR1 (0.57) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL11449651 0.86 PPARA (0.55) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL11448788 0.85 PPARA (0.73) PPARAMAPTMEN1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11449417 0.84 PPARA (0.71) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL12202894 0.83 PPARA (0.52) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL3811479 0.83 PPARA (0.81) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL16303956 0.82 PPARA (0.57) PPARAMAPTMEN1CYP1A2CYP3A4

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-8034966-B1 Phenoxyisobutyric acid compounds and methods for synthesis Cell Viable Corporation (US) 2011-10-11 — — US disclosed
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