SCHEMBL15089442

SCHEMBL15089442

CNC(=O)O[C@@H](c1c(Cl)cccc1Cl)[C@H](C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ACHE P22303 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FEN1 P39748 2/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
BCHE P06276 1/20 0.34
TSHR P16473 1/20 0.34
ERCC5 P28715 1/20 0.33
PGR P06401 1/20 0.33
GAA P10253 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
SCHEMBL15089434 0.85 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL15082865 0.84 CYP1A2 (0.42) HPGDALOX15ALDH1A1KMT2AMEN1
SCHEMBL3435809 0.83 ADRB2 (0.42) ALDH1A1ACHESMN1; SMN2ADRB2ADRB1
SCHEMBL3434987 0.83 ADRB2 (0.42) ALDH1A1ACHESMN1; SMN2ADRB2ADRB1
SCHEMBL14477675 0.83 ADRB2 (0.42) ALDH1A1ACHESMN1; SMN2ADRB2ADRB1
SCHEMBL15087398 0.82 HPGD (0.38) HPGDALOX15ALDH1A1ACHEKMT2A
SCHEMBL16064827 0.81 ALDH1A1 (0.40) HPGDALOX15ALDH1A1ACHEKMT2A
SCHEMBL19254736 0.81 CXCL8 (0.36) ALDH1A1KMT2AMEN1FEN1SMN1; SMN2
SCHEMBL3437319 0.81 CXCL8 (0.36) ALDH1A1KMT2AMEN1FEN1SMN1; SMN2
SCHEMBL10119590 0.81 CXCL8 (0.36) ALDH1A1KMT2AMEN1FEN1SMN1; SMN2

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-2013100571-A1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING ALS BIO-PHARM SOLUTIONS CO., LTD. (KR) 2013-07-04 WO disclosed