SCHEMBL28005647

SCHEMBL28005647

CCCCC(Cc1ccccc1C)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.54
PTGES O14684 5/20 0.54
ALOX5 P09917 5/20 0.54
FOLH1 Q04609 3/20 0.51
PPARA Q07869 2/20 0.50
MAPK1 P28482 2/20 0.49
CA2 P00918 1/20 0.49
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.43
CTBP2 P56545 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
SCHEMBL7384644 0.85 PPARG (0.57) PPARGFOLH1PPARAALDH1A1HPGD
SCHEMBL1275969 0.84 PPARG (0.54) PPARGPTGESALOX5FOLH1PPARA
SCHEMBL9419792 0.83 PPARG (0.64) PPARGPPARAALDH1A1HPGDCTBP2
SCHEMBL10591459 0.83 PPARG (0.53) PPARGPTGESALOX5FOLH1PPARA
SCHEMBL8904270 0.83 PPARG (0.53) PPARGPTGESALOX5FOLH1PPARA
SCHEMBL27423775 0.83 PPARG (0.53) PPARGPTGESALOX5FOLH1PPARA
SCHEMBL31046596 0.83 PPARG (0.53) PPARGPTGESALOX5FOLH1PPARA
SCHEMBL27784429 0.83 CPA3 (0.63) PPARGFOLH1PPARAALDH1A1TSHR
Hydrochloric Acid SCHEMBL8719650 0.82 PPARG (0.52) PPARGPTGESALOX5FOLH1PPARA
2-Ethylhexanoic Acid SCHEMBL28286597 0.81 CA2 (0.67) PPARGPTGESALOX5PPARAMAPK1

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
CN-104592006-B A kind of synthetic method of phenylpropionic acid compound 郑州大学 2016-10-26 CN disclosed
CN-104592006-A Synthesis method of phenylpropionic acid compound UNIV ZHENGZHOU 2015-05-06 CN disclosed