SCHEMBL9787748

SCHEMBL9787748

CCOCCOc1ccc(CCNC(=O)C(C(=O)OCC)c2cccs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 5/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 3/20 0.40
ACACB O00763 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL9787721 0.82 KMT2A (0.41) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9787823 0.80 TP53 (0.42) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9787812 0.79 KMT2A (0.44) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9439608 0.76 KMT2A (0.53) LMNANPC1RAB9AMAPTSMN1; SMN2
Oxalic Acid SCHEMBL9787761 0.75 ADRB3 (0.45) LMNAHTTSMN1; SMN2ALDH1A1POLB
SCHEMBL9492908 0.75 ADRB3 (0.42) LMNAHTTSMN1; SMN2ALDH1A1POLB
SCHEMBL9787709 0.72 ADRB3 (0.47) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1432886 0.71 MMP8 (0.45) NPC1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL9787730 0.71 MAPT (0.44) LMNAHTTNPC1RAB9AMAPT
SCHEMBL9439602 0.69 SMN1; SMN2 (0.52) LMNANPC1RAB9ASMN1; SMN2ALDH1A1

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