SCHEMBL24064894

SCHEMBL24064894

O=C(O)CC(C(=O)O)N1Cc2ccccc2C1=O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.72
MAPT P10636 2/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
KDM4E B2RXH2 3/20 0.66
TSHR P16473 2/20 0.61
ALDH1A1 P00352 1/20 0.61
XIAP P98170 1/20 0.61
HKDC1 Q2TB90 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
STAT3 P40763 1/20 0.58
SDCBP O00560 5/20 0.56
SDC2 P34741 5/20 0.56
SIRT1 Q96EB6 1/20 0.51

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
SCHEMBL29228518 0.89 ALOX15 (0.69) ALOX15MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL30506288 0.87 ALOX15 (0.74) ALOX15MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL20116492 0.87 ALOX15 (0.74) ALOX15MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL824555 0.86 ALOX15 (0.70) ALOX15MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL29774638 0.86 ALOX15 (0.70) ALOX15MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL20014221 0.85 ALOX15 (0.72) ALOX15MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL16266975 0.85 ALOX15 (0.72) ALOX15MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL16266972 0.85 ALOX15 (0.72) ALOX15MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL12235516 0.85 KMT2A (0.64) ALOX15MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL24064923 0.85 ALOX15 (0.53) ALOX15MAPTSMN1; SMN2KDM4ETSHR

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-20210372959-A1 Nanopore Method for Identifying Single Amino Acid in Oligopeptides UNIVERSITY OF SOUTH CAROLINA (US) 2021-12-02 US disclosed