SCHEMBL10690219

SCHEMBL10690219

O=C(CO)Nc1ccccc1CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
GAA P10253 3/20 0.50
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
ADRB2 P07550 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ABCB1 P08183 1/20 0.45
MAPT P10636 1/20 0.45
HDAC1 Q13547 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL10690887 0.85 L3MBTL1 (0.64) ALDH1A1HPGDGAAPOLBRAB9A
SCHEMBL10692720 0.84 GAA (0.57) ALDH1A1GAAPOLBRAB9AL3MBTL1
SCHEMBL10692445 0.79 SMN1; SMN2 (0.61) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL10692512 0.79 HDAC3 (0.63) ALDH1A1HPGDGAAPOLBHTT
SCHEMBL10690086 0.78 ALDH1A1 (0.56) ALDH1A1HPGDGAAL3MBTL1MAPT
SCHEMBL10693467 0.78 ABCB1 (0.55) ALDH1A1GAAPOLBABCB1MEN1
SCHEMBL8654104 0.78 SOAT1 (0.50) ALDH1A1HPGDPOLBHDAC1
SCHEMBL3554353 0.77 SLC16A3 (0.66) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL15522572 0.77 HDAC1 (0.60) ALDH1A1HPGDHDAC1MEN1KMT2A
SCHEMBL8286481 0.76 MTNR1A (0.54) ALDH1A1HPGDPOLBHDAC1MEN1

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-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP claimed