SCHEMBL3845579

SCHEMBL3845579

CC(C)(Oc1cccc(O)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.56
▸ PPARA Q07869 9/20 0.56
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2C19 P33261 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ PTPN7 P35236 1/20 0.51
▸ DUSP3 P51452 1/20 0.51
▸ PTPN12 Q05209 1/20 0.51
▸ PTPN22 Q9Y2R2 1/20 0.51
▸ PPARD Q03181 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ TSHR P16473 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
SCHEMBL9911068 0.84 PPARG (0.55) PPARGPPARACYP3A4CYP2C19MEN1
SCHEMBL7988206 0.84 PPARA (0.55) PPARGPPARACYP3A4CYP2C19MEN1
SCHEMBL12327872 0.82 AKR1C3 (0.56) PPARGPPARACYP3A4CYP2C19MEN1
SCHEMBL2668319 0.82 PPARA (0.54) PPARGPPARACYP3A4CYP2C19MEN1
SCHEMBL31227691 0.82 PPARA (0.54) PPARGPPARACYP3A4CYP2C19MEN1
SCHEMBL4607275 0.82 CYP3A4 (0.51) PPARGPPARACYP3A4MEN1KMT2A
SCHEMBL3373353 0.82 PPARA (0.54) PPARGPPARACYP3A4CYP2C19MEN1
SCHEMBL14439400 0.82 PPARA (0.54) PPARGPPARACYP3A4CYP2C19MEN1
SCHEMBL3841972 0.82 PPARA (0.54) PPARGPPARACYP3A4CYP2C19MEN1
SCHEMBL3374117 0.82 PPARA (0.64) PPARGPPARACYP3A4CYP2C19MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 — — EP disclosed
EP-1856065-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2007-11-21 — — EP disclosed
WO-2006092507-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2006-09-08 — — WO disclosed
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