SCHEMBL10692697

SCHEMBL10692697

O=C(NCCSCCO)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.56
CNR2 P34972 3/20 0.56
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PAX8 Q06710 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7597614 0.81 CNR1 (0.62) CNR1CNR2HTTLMNAL3MBTL1
SCHEMBL10988392 0.78 CNR1 (0.39) CNR1CNR2HTTLMNAPOLB
SCHEMBL10690539 0.74 CNR1 (0.62) CNR1CNR2HTTLMNAL3MBTL1
SCHEMBL7601760 0.73 CNR1 (0.60) CNR1CNR2HTTLMNAL3MBTL1
SCHEMBL24671951 0.72 HTT (0.60) CNR1CNR2HTTLMNAL3MBTL1
SCHEMBL9476163 0.70 CNR1 (0.53) CNR1CNR2HTTLMNAL3MBTL1
SCHEMBL10694168 0.70 NAAA (0.55) CNR1CNR2LMNAALDH1A1SMN1; SMN2
SCHEMBL25443355 0.70 CNR1 (0.58) CNR1CNR2HTTLMNAL3MBTL1
SCHEMBL9016263 0.70 ALDH1A1 (0.50) HTTL3MBTL1ALDH1A1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL9494741 0.69 CNR1 (0.58) CNR1CNR2HTTLMNAL3MBTL1

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 4 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-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