SCHEMBL5598069

SCHEMBL5598069

CCC(C)COC(=O)C(=O)c1ccccc1CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 5/20 0.40
TSHR P16473 4/20 0.40
FFAR1 O14842 1/20 0.36
CA2 P00918 1/20 0.36
CYP3A4 P08684 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
HSP90AB1 P08238 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5597694 0.87 ALDH1A1 (0.54) MAPTALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL5597921 0.82 HIF1A (0.42) MAPTALDH1A1TSHRFFAR1CA2
SCHEMBL5597833 0.82 TSHR (0.50) MAPTALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL5597715 0.81 ALDH1A1 (0.62) MAPTALDH1A1TSHRCA2CYP3A4
SCHEMBL5597695 0.80 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4SMN1; SMN2LMNA
SCHEMBL5597674 0.79 HTT (0.43) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL5597965 0.78 TSHR (0.40) MAPTALDH1A1TSHRCA2SMN1; SMN2
SCHEMBL5597642 0.77 TSHR (0.55) ALDH1A1TSHRCYP3A4SMN1; SMN2LMNA
SCHEMBL5597611 0.76 TSHR (0.56) MAPTALDH1A1TSHRCYP3A4SMN1; SMN2
SCHEMBL3306441 0.76 ALDH1A1 (0.42) ALDH1A1TSHRLMNAKMT2AHTT

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
EP-0765304-B2 METHOD OF PREPARING ALPHA-METHOXYIMINOCARBOXYLIC ACID METHYLAMIDES, AND INTERMEDIATES USED IN THE METHOD BAYER CROPSCIENCE AG (DE) 2007-08-22 EP claimed