SCHEMBL13625831

SCHEMBL13625831

COc1cc(C=O)c(CF)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 2/20 0.59
TSHR P16473 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
PRKDC P78527 2/20 0.53
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
FDPS P14324 1/20 0.43
ERN1 O75460 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
TUBB1 Q9H4B7 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
SCHEMBL28281706 0.81 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL5698339 0.79 ALDH1A1 (0.81) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL25142653 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL20525308 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL9723475 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL30148031 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL2432873 0.76 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL9039124 0.75 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1PRKDC
Asaraldehyde SCHEMBL333451 0.74 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1PRKDC
Asaraldehyde SCHEMBL29456596 0.74 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1PRKDC

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
WO-2009138665-A1 METHODS FOR ASYMMETRICALLY SYNTHESIZING 6-FLUORO-L-DOPA AND ANALOGS THEREOF LABORATOIRES CYCLOPHARMA (FR) 2009-11-19 WO disclosed