SCHEMBL9797403

SCHEMBL9797403

CC(C)(c1ccccc1)C(Oc1ccccc1)(C(=O)O)C(C)(C)c1ccccc1.O=[Zr](O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.38
PPARA Q07869 6/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
KCNN4 O15554 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL8515671 0.93 PPARG (0.41) PPARGPPARAMAPTKMT2ACYP2C19
SCHEMBL648770 0.89 PPARG (0.39) PPARGPPARAMAPTKMT2ACYP2C19
SCHEMBL646990 0.87 PPARG (0.38) PPARGPPARAMAPTKMT2ACYP2C19
SCHEMBL28857877 0.77 PPARA (0.44) PPARGPPARAMAPTKMT2ACYP2C19
SCHEMBL15023101 0.73 ALDH1A1 (0.36) PPARGPPARAMAPTKMT2ACYP2C19
SCHEMBL5691818 0.72 PPARG (0.61) PPARGPPARAMAPTKMT2ACYP2C19
SCHEMBL1683220 0.71 PPARG (0.43) PPARGPPARAMAPTKMT2ACYP2C19
SCHEMBL11048995 0.70 HSD11B1 (0.37) MAPTKMT2ACYP2C19CYP1A2KCNN4
SCHEMBL11657107 0.70 CES1 (0.39) PPARGPPARAMAPTKMT2ACYP2C19
SCHEMBL28016357 0.70 ALDH1A1 (0.43) PPARGPPARAMAPTKMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068150-A Polymeric Zirconium Acylate MITSUI KINZOKU KOGYO KABUSHIKI KAISHA (JP) 1991-11-26 US disclosed
EP-0326737-A2 Copper powder for electroconductive paints and electroconductive paint compositions MITSUI KINZOKU KOGYO KABUSHIKI KAISHA (JP) 1989-08-09 EP disclosed