SCHEMBL9500076

SCHEMBL9500076

Cc1ccc(C(C)C)cc1OCCCl

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.60
ACHE P22303 10/20 0.57
BCHE P06276 7/20 0.57
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.46
TRPA1 O75762 1/20 0.43
PTGS1 P23219 1/20 0.43
CACNA1C Q13936 1/20 0.43

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
SCHEMBL22911500 0.84 SMN1; SMN2 (0.61) SMN1; SMN2HTTACHEBCHELMNA
SCHEMBL8302733 0.83 SMN1; SMN2 (0.60) SMN1; SMN2HTTACHEBCHELMNA
SCHEMBL12778520 0.83 LMNA (0.61) SMN1; SMN2HTTACHEBCHELMNA
SCHEMBL356804 0.80 ACHE (0.63) SMN1; SMN2HTTACHEBCHELMNA
SCHEMBL29654960 0.80 ACHE (0.63) SMN1; SMN2HTTACHEBCHELMNA
SCHEMBL14200361 0.80 LMNA (0.58) SMN1; SMN2HTTACHEBCHELMNA
SCHEMBL10630262 0.80 SMN1; SMN2 (0.57) SMN1; SMN2HTTACHEBCHELMNA
SCHEMBL31039479 0.80 LMNA (0.62) SMN1; SMN2HTTACHEBCHELMNA
SCHEMBL14200146 0.79 SMN1; SMN2 (0.56) SMN1; SMN2HTTACHEBCHELMNA
Hydrochloric Acid SCHEMBL10493571 0.79 SMN1; SMN2 (0.56) SMN1; SMN2HTTACHEBCHELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347305-B1 [(Aryl-4-piperazinyl-1)-2-ethoxy]-3 p cymene, the ortho-, meta-, para-monosubstituted or disubstituted phenyl ring derivatives, process for their preparation and medicaments containing the same as the active principle INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) Société à responsabilité limitée dite: (FR) 1993-05-12 EP claimed
US-5110816-A Urogenital disorders INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) (FR) 1992-05-05 US disclosed