SCHEMBL10693582

SCHEMBL10693582

CCc1ccccc1NC(=O)COC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 4/20 0.59
NPY1R P25929 1/20 0.59
NPY2R P49146 1/20 0.59
RAB9A P51151 1/20 0.57
LMNA P02545 3/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
KMT2A Q03164 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL10694565 0.83 SMN1; SMN2 (0.69) ALDH1A1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL10694390 0.80 ALDH1A1 (0.61) ALDH1A1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL14818749 0.80 TSHR (0.68) ALDH1A1LMNAPOLBMAPTKMT2A
SCHEMBL11359123 0.79 POLB (0.56) ALDH1A1RAB9ALMNAPOLBMAPT
SCHEMBL10693261 0.79 NPC1 (0.66) ALDH1A1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL10996044 0.78 ALDH1A1 (0.63) TDP1ALDH1A1NPY1RNPY2RLMNA
SCHEMBL9312836 0.77 HDAC3 (0.67) ALDH1A1LMNAPOLBMAPTKMT2A
SCHEMBL528445 0.76 KCNK3 (0.77) ALDH1A1RAB9ALMNAPOLBMAPT
SCHEMBL3022920 0.76 HDAC3 (0.65) ALDH1A1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL10693611 0.75 HDAC3 (0.57) TDP1ALDH1A1RAB9ALMNAPOLB

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