SCHEMBL7469751

SCHEMBL7469751

Brc1cc(OCC2CO2)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.51
TP53 P04637 3/20 0.51
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HIF1A Q16665 2/20 0.51
CYP3A4 P08684 1/20 0.51
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
MAOB P27338 4/20 0.43
GLA P06280 1/20 0.42
PTPN1 P18031 2/20 0.42
CCR5 P51681 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL21657603 0.88 TDP1 (0.57) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL8730031 0.88 TDP1 (0.57) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL30628474 0.88 TDP1 (0.57) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL8730039 0.88 TDP1 (0.57) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL29721135 0.88 TDP1 (0.57) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL8758115 0.84 TDP1 (0.53) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL8758127 0.84 TDP1 (0.53) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL7778474 0.83 MAOB (0.59) SMN1; SMN2HIF1ACYP3A4RAB9AMAOB
SCHEMBL23403775 0.82 TDP1 (0.54) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL7526730 0.82 TDP1 (0.50) TDP1ALDH1A1TP53TSHRSMN1; SMN2

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
EP-1087961-B1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed