SCHEMBL11250459

SCHEMBL11250459

COc1ccc(C2(CCCl)OCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
MAOB P27338 2/20 0.38
ICMT O60725 2/20 0.38
MAOA P21397 1/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL11239617 0.94 SLC6A4 (0.37) SMN1; SMN2MAOBICMTMAOACA12
SCHEMBL1593292 0.90 SMN1; SMN2 (0.36) SMN1; SMN2MAOBICMTMAOAPOLB
SCHEMBL11237020 0.89 RYR2 (0.36) SMN1; SMN2MAOBICMTMAOAPOLB
SCHEMBL12134317 0.86 SMN1; SMN2 (0.40) SMN1; SMN2MAOBMAOAPOLBNPC1
SCHEMBL11246464 0.86 GRIN1 (0.40) SMN1; SMN2MAOBICMTMAOACA12
SCHEMBL10848899 0.83 MAOB (0.41) SMN1; SMN2MAOBICMTMAOAPOLB
SCHEMBL11239210 0.83 RYR2 (0.35) SMN1; SMN2MAOBICMTMAOAALDH1A1
SCHEMBL11246261 0.81 TSHR (0.43) NPC1RAB9ACA12CA1CA2
SCHEMBL11242731 0.81 L3MBTL1 (0.34) MAOBICMTMAOAALDH1A1CHRNA1
SCHEMBL2082060 0.81 CA12 (0.41) SMN1; SMN2MAOBMAOAPOLBCA12

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-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed