SCHEMBL29951995

SCHEMBL29951995

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
NPC1 O15118 6/20 0.64
RAB9A P51151 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
TAAR1 Q96RJ0 1/20 0.64
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HTT P42858 1/20 0.57
NLRP1 Q9C000 1/20 0.57
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
MCL1 Q07820 1/20 0.55
NOX1 Q9Y5S8 1/20 0.55
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 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
SCHEMBL29952991 0.83 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL20335100 0.82 ALDH1A1 (0.71) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29952966 0.82 KMT2A (0.69) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3633396 0.81 NPC1 (0.84) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL29957192 0.81 EPHX2 (0.58) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL9191376 0.80 MAOA (0.60) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4426386 0.80 F7 (0.64) ITGB3
SCHEMBL16223190 0.80 NAMPT (0.69) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Phenylhydantoic Acid SCHEMBL333005 0.80 ABAT (0.67) NPC1RAB9ASMN1; SMN2TAAR1ALDH1A1
SCHEMBL24381812 0.79 FPR2 (0.62) NPC1RAB9AMEN1KMT2A

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