SCHEMBL29952991

SCHEMBL29952991

CC(=O)c1ccc(NC(=O)NCCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
RAB9A P51151 2/20 0.60
TAAR1 Q96RJ0 1/20 0.60
S1PR1 P21453 1/20 0.58
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 1/20 0.54
NLRP1 Q9C000 1/20 0.54
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
MCL1 Q07820 1/20 0.53
NOX1 Q9Y5S8 1/20 0.53
ITGB3 P05106 2/20 0.51
ITGAV P06756 1/20 0.51
ITGA2B P08514 1/20 0.50
CNR1 P21554 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL29957192 0.91 EPHX2 (0.58) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL27183437 0.87 S1PR1 (0.57) NPC1SMN1; SMN2RAB9AS1PR1ALDH1A1
SCHEMBL29951995 0.83 MAPT (0.64) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL29956830 0.83 MAPT (0.67) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL27440837 0.82 MAPT (0.57) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL27439714 0.82 MAPT (0.57) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL20335072 0.81 ITGB3 (0.63) NPC1SMN1; SMN2RAB9AS1PR1ALDH1A1
SCHEMBL5974338 0.81 MAPT (0.56) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL19428148 0.80 FOLH1 (0.60) SMN1; SMN2RAB9AS1PR1MEN1KMT2A
SCHEMBL2644934 0.80 CA1 (0.61) NPC1RAB9AALDH1A1POLBLMNA

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed