SCHEMBL9760126

SCHEMBL9760126

C=C(C=O)C(=O)OOc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
ALOX15 P16050 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 2/20 0.33
CYP2D6 P10635 1/20 0.33
TGM2 P21980 1/20 0.33
F2 P00734 1/20 0.33
ELANE P08246 1/20 0.33
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ATM Q13315 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PARP10 Q53GL7 1/20 0.32
GAA P10253 1/20 0.32
AKT1 P31749 1/20 0.31
SRC P12931 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL9760120 0.81 ELANE (0.46) TDP1ALDH1A1MAPK1ALOX15LMNA
SCHEMBL632410 0.77 ELANE (0.50) TDP1ALDH1A1ALOX15LMNAF2
Methacrylic Acid SCHEMBL2939572 0.74 ELANE (0.47) TDP1ALDH1A1ALOX15ELANEKMT2A
SCHEMBL32679139 0.74 CA4 (0.41) ALDH1A1ELANEKMT2ASMN1; SMN2GAA
SCHEMBL32679140 0.74 CA4 (0.41) ALDH1A1ELANEKMT2ASMN1; SMN2GAA
SCHEMBL1054428 0.74 HCAR2 (0.43) ALDH1A1ALOX15THRBLMNAF2
SCHEMBL3156584 0.74 ALDH1A1 (0.39) TDP1ALDH1A1ALOX15THRBTGM2
SCHEMBL134191 0.73 MAPT (0.40) TDP1ALDH1A1ALOX15ELANEKMT2A
SCHEMBL28965920 0.73 LMNA (0.42) ALDH1A1LMNACYP2D6ELANEKMT2A
SCHEMBL7259561 0.72 MEN1 (0.53) ALDH1A1LMNAKMT2AMEN1MAPT

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-5049634-A Derivatized and/or crosslinked products from acetal- and aldehyde-containing polysaccharide graft polymers NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1991-09-17 US disclosed