SCHEMBL8200860

SCHEMBL8200860

C/C=C(/C(=O)O)c1ccccc1CO/C(C)=N\OC(C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.33
MMP8 P22894 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
LTB4R Q15722 5/20 0.32
LTB4R2 Q9NPC1 5/20 0.32
HIF1A Q16665 3/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
CAPN1 P07384 1/20 0.31
FFAR1 O14842 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8200865 1.00 HCAR2 (0.33) HCAR2MMP8CYP1A2CYP3A4CYP2D6
SCHEMBL8207734 0.88 KDM4E (0.31) HCAR2ALDH1A1KDM4ELMNA
SCHEMBL8207737 0.88 KDM4E (0.31) HCAR2ALDH1A1KDM4ELMNA
SCHEMBL8200862 0.79 HCAR2 (0.33) HCAR2LTB4RLTB4R2FFAR1
SCHEMBL8209462 0.77 MMP8 (0.41) HCAR2MMP8CYP1A2CYP3A4CYP2C9
SCHEMBL9021457 0.72 HDAC3 (0.40) CYP2C9HPGDHIF1AALDH1A1KDM4E
SCHEMBL9021460 0.72 HDAC3 (0.40) CYP2C9HPGDHIF1AALDH1A1KDM4E
SCHEMBL3459412 0.68 FOLH1 (0.37) ALDH1A1LMNATSHRMAPT
SCHEMBL7459530 0.68 FOLH1 (0.37) ALDH1A1LMNATSHRMAPT
SCHEMBL8209012 0.68 SLC6A2 (0.31) HCAR2

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
EP-1021399-A2 FUNGICIDES WITH HYDROXIMIC AND HYDRAZONIC GROUPS AVENTIS CROPSCIENCE S.A. (FR) 2000-07-26 EP disclosed
WO-1998015512-A2 FUNGICIDES WITH HYDROXIMIC AND HYDRAZONIC GROUPS RHONE POULENC AGROCHIMIE (FR) 1998-04-16 WO disclosed