SCHEMBL27799343

SCHEMBL27799343

COC(=O)C(C)[P](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.44
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
KDM1A O60341 1/20 0.41
KYNU Q16719 1/20 0.40
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL27416181 0.81 POLB (0.54) KMT2APOLBL3MBTL1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28146281 0.78 ALDH1A1 (0.41) KMT2AMAPK1L3MBTL1MAPTPTGS2
SCHEMBL16774994 0.75 KMT2A (0.44) KMT2APOLBMAPK1L3MBTL1MAPT
SCHEMBL25591711 0.73 ELANE (0.51) KMT2APOLBMAPK1TDP1
SCHEMBL9906190 0.72 TSHR (0.47) KMT2APOLBMAPTALDH1A1KDM4E
SCHEMBL10339568 0.72 KMT2A (0.44) KMT2APOLBMAPK1L3MBTL1MAPT
SCHEMBL7735376 0.71 KMT2A (0.53) KMT2AL3MBTL1MAPTPTGS1PTGS2
SCHEMBL16453798 0.71 KMT2A (0.53) KMT2AL3MBTL1MAPTPTGS1PTGS2
SCHEMBL3236310 0.70 KMT2A (0.56) KMT2APTGS1PTGS2ALDH1A1TSHR
SCHEMBL5544986 0.69 KMT2A (0.67) KMT2APOLBL3MBTL1PTGS1PTGS2

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
CN-101679228-A Novel 3-phenylacrylic acid derivatives as activators of receptors of the PPAR type, method for preparing same and use thereof in cosmetic or pharmaceutical compositions JEAN-GUY BOITEAU 2010-03-24 CN disclosed