SCHEMBL2518715

SCHEMBL2518715

CC(C)(Oc1ccccc1NCc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 10/20 0.50
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PPARG P37231 5/20 0.46
▸ PPARD Q03181 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ FABP2 P12104 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SLC22A12 Q96S37 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL2514424 0.88 ALDH1A1 (0.46) PPARAMEN1KMT2APPARGPPARD
SCHEMBL2515848 0.88 PPARA (0.50) PPARAMAPTMEN1KMT2APPARG
SCHEMBL2517703 0.86 SSTR3 (0.51) PPARAPPARGPPARDALDH1A1SMN1; SMN2
SCHEMBL2516939 0.86 PPARG (0.56) PPARAPPARGPPARDALDH1A1KDM4E
SCHEMBL2514673 0.86 PPARA (0.58) PPARAMEN1KMT2APPARGPPARD
SCHEMBL14975400 0.78 NPC1 (0.61) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL11285273 0.77 PPARA (0.53) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL12228620 0.76 PPARA (0.68) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL11449198 0.76 PPARA (0.68) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL12017475 0.74 KDM4E (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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