SCHEMBL9603260

SCHEMBL9603260

CCOC(=O)CCOc1ccc(Oc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
FFAR1 O14842 2/20 0.53
MAPT P10636 4/20 0.49
TSHR P16473 3/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.45

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
SCHEMBL28252189 0.87 MAPT (0.63) ALDH1A1TDP1L3MBTL1MAPTTSHR
SCHEMBL21991515 0.85 TDP1 (0.50) TDP1L3MBTL1MAPTTSHRKMT2A
SCHEMBL21991489 0.84 CYP1A2 (0.54) TDP1L3MBTL1MAPTTSHRKMT2A
SCHEMBL8332044 0.83 FFAR1 (0.71) ALDH1A1TDP1L3MBTL1FFAR1MAPT
SCHEMBL1090743 0.80 MAPT (0.74) ALDH1A1TDP1L3MBTL1MAPTTSHR
SCHEMBL11546217 0.79 FFAR1 (0.76) ALDH1A1TDP1L3MBTL1FFAR1MAPT
SCHEMBL6580936 0.79 MEN1 (0.66) ALDH1A1MAPTTSHRHPGDSMN1; SMN2
SCHEMBL6578030 0.78 MAPT (0.52) ALDH1A1TDP1L3MBTL1MAPTTSHR
SCHEMBL21991271 0.78 HPGD (0.51) TDP1L3MBTL1MAPTHPGDSMN1; SMN2
SCHEMBL11543624 0.77 FFAR1 (0.47) ALDH1A1TDP1L3MBTL1FFAR1MAPT

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
US-5254527-A Optically active herbicidal ethyl-2-(4-(6-chloro-benzoxazol-2-yloxy)-phenoxy)-propionate HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-19 US disclosed