SCHEMBL9787771

SCHEMBL9787771

CCCC(=O)Oc1ccc(OCCOCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.54
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
ESR1 P03372 3/20 0.49
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RARB P10826 1/20 0.46
MEN1 O00255 1/20 0.45
EPHX2 P34913 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ACACB O00763 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL27524018 0.86 BCL9 (0.58) BCL9CTNNB1ESR1KMT2ALMNA
SCHEMBL7484158 0.86 BCL9 (0.58) BCL9CTNNB1ESR1KMT2ALMNA
SCHEMBL20703605 0.84 BCL9 (0.60) BCL9CTNNB1ESR1KMT2ALMNA
SCHEMBL11023644 0.82 BCL9 (0.70) BCL9CTNNB1ESR1KMT2ALMNA
SCHEMBL10432965 0.82 TP53 (0.61) LMNARARBSMN1; SMN2
SCHEMBL8765721 0.79 BCL9 (0.62) BCL9CTNNB1ESR1KMT2ALMNA
SCHEMBL30122612 0.79 L3MBTL1 (0.54) LMNAMAPTHTTL3MBTL1
SCHEMBL4061378 0.78 NQO1 (0.57) THRAKMT2ALMNAALDH1A1RARB
SCHEMBL4056036 0.78 LMNA (0.56) THRAKMT2ALMNAMAPTRARB
SCHEMBL4732 0.78 BCL9 (0.60) BCL9CTNNB1ESR1KMT2ALMNA

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