SCHEMBL29957192

SCHEMBL29957192

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
MAPT P10636 4/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TAAR1 Q96RJ0 1/20 0.57
ALDH1A1 P00352 3/20 0.52
EPHX1 P07099 4/20 0.52
S1PR1 P21453 1/20 0.52
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.51
NLRP1 Q9C000 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
MCL1 Q07820 1/20 0.50

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
SCHEMBL29952991 0.91 MAPT (0.60) EPHX2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL29953432 0.84 MAPT (0.64) EPHX2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13199541 0.83 MAPT (0.54) MAPTRAB9ANPC1SMN1; SMN2TAAR1
SCHEMBL7828340 0.82 EPHX1 (0.68) EPHX2SMN1; SMN2ALDH1A1EPHX1HTT
SCHEMBL5974975 0.82 MAPT (0.54) MAPTRAB9ANPC1SMN1; SMN2TAAR1
SCHEMBL29951995 0.81 MAPT (0.64) MAPTRAB9ANPC1SMN1; SMN2TAAR1
SCHEMBL15613891 0.81 HSD17B10 (0.57) EPHX2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL27440837 0.80 MAPT (0.57) MAPTRAB9ANPC1SMN1; SMN2TAAR1
SCHEMBL27439714 0.80 MAPT (0.57) MAPTRAB9ANPC1SMN1; SMN2TAAR1
SCHEMBL27892102 0.80 MAPT (0.64) MAPTNPC1SMN1; SMN2ALDH1A1MEN1

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