SCHEMBL11044273

SCHEMBL11044273

CC(=O)Nc1ccc(O)c(CCCOC(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.43
PKM P14618 1/20 0.42
MAOB P27338 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CA12 O43570 1/20 0.40
BRD4 O60885 1/20 0.40
NR1I2 O75469 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MB P02144 1/20 0.40
CYP1A1 P04798 1/20 0.40
CA3 P07451 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
SCHEMBL28026046 0.82 POLB (0.51) MTNR1AMTNR1BHPGDRECQLSMN1; SMN2
SCHEMBL11042959 0.82 POLB (0.48) MTNR1AMTNR1BSMN1; SMN2POLBPKM
SCHEMBL11878187 0.81 POLB (0.50) MTNR1AMTNR1BHPGDRECQLSMN1; SMN2
SCHEMBL9773576 0.79 POLB (0.50) SMN1; SMN2POLBPKMMAOBALDH1A1
SCHEMBL31198180 0.77 POLB (0.58) HPGDSMN1; SMN2POLBPKMALDH1A1
SCHEMBL28627643 0.76 EGFR (0.57) SMN1; SMN2POLBPKMALDH1A1KMT2A
SCHEMBL11515756 0.76 KLF10 (0.51) MTNR1AMTNR1BALDH1A1TNKS2CA12
SCHEMBL28629516 0.74 EGFR (0.62) HPGDRECQLSMN1; SMN2POLBPKM
SCHEMBL10654883 0.73 TDP1 (0.46) SMN1; SMN2POLBPKMMAOBALDH1A1
SCHEMBL28837437 0.73 POLB (0.50) SMN1; SMN2POLBPKMALDH1A1KMT2A

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
WO-1984000032-A1 AMINO-OXY-(MERCAPTO-ALKYL)-BENZENES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL PRODUCTS CONTAINING THEM SANDOZ AG (CH) 1984-01-05 WO disclosed