SCHEMBL9787730

SCHEMBL9787730

CCOCCOc1ccc(CCNC(=O)c2sccc2CC(=O)OCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 3/20 0.43
GLA P06280 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NAMPT P43490 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
ACACB O00763 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9787815 0.80 MAPT (0.45) MAPTLMNATP53KMT2ANPC1
SCHEMBL9439608 0.76 KMT2A (0.53) MAPTLMNAKMT2AGLANPC1
SCHEMBL9787773 0.74 TBXAS1 (0.57) SMN1; SMN2ACACBALDH1A1HPGDLTA4H
SCHEMBL9787733 0.73 KMT2A (0.64) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9787729 0.71 KMT2A (0.53) MAPTLMNATP53KMT2ANPC1
SCHEMBL9787748 0.71 LMNA (0.43) MAPTLMNATP53KMT2AGLA
SCHEMBL9439602 0.69 SMN1; SMN2 (0.52) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9787721 0.69 KMT2A (0.41) MAPTKMT2AGLANPC1RAB9A
Acetic Acid SCHEMBL9787824 0.68 NPC1 (0.48) MAPTLMNATP53KMT2ANPC1
SCHEMBL2779430 0.68 PKM (0.46) LMNAKMT2ASMN1; SMN2MEN1

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-5045567-A Propanolamine derivatives having anti-diabetic effects HOFFMANN-LA ROCHE INC. (US) 1991-09-03 US disclosed