SCHEMBL10692573

SCHEMBL10692573

O=C(CO)N(Cc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
ALDH1A1 P00352 2/20 0.61
PAX8 Q06710 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
GLA P06280 1/20 0.61
CNR2 P34972 2/20 0.54
LTB4R2 Q9NPC1 10/20 0.53
CNR1 P21554 1/20 0.49
GALR3 O60755 1/20 0.47
LMNA P02545 1/20 0.47
NR2F2 P24468 1/20 0.47
BCL2A1 Q16548 1/20 0.47
JAK2 O60674 1/20 0.47
PTPRB P23467 1/20 0.46

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
SCHEMBL7989558 0.95 NPC1 (0.56) HTTRAB9ANPC1ALDH1A1PAX8
SCHEMBL5144037 0.88 NPC1 (0.71) HTTRAB9ANPC1ALDH1A1PAX8
SCHEMBL4242009 0.86 NPC1 (0.59) HTTRAB9ANPC1ALDH1A1PAX8
SCHEMBL10694289 0.84 ALDH1A1 (0.57) HTTRAB9ANPC1ALDH1A1PAX8
SCHEMBL10693233 0.80 RNF4 (0.64) HTTRAB9ANPC1ALDH1A1PAX8
SCHEMBL10693054 0.80 NPC1 (0.52) HTTRAB9ANPC1ALDH1A1PAX8
SCHEMBL23784723 0.77 NPC1 (0.67) HTTRAB9ANPC1ALDH1A1PAX8
SCHEMBL5452605 0.76 NPC1 (1.00) HTTRAB9ANPC1ALDH1A1PAX8
SCHEMBL3053543 0.75 TSHR (0.59) HTTRAB9ANPC1ALDH1A1PAX8
SCHEMBL5144036 0.74 ALDH1A1 (0.71) HTTRAB9ANPC1ALDH1A1PAX8

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 5 patents. 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
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP claimed
EP-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP disclosed
US-4518789-A Phenyl alpha-acyloxyacetamide derivatives and their therapeutic use YU RUEY J 1985-05-21 US disclosed
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP disclosed