SCHEMBL11236878

SCHEMBL11236878

COc1ccc(C2(CCCl)OC(C)C(C)O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.37
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TLR9 Q9NR96 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11238036 0.89 MAOB (0.34) SOAT1MAOBMAOACA12CA1
SCHEMBL11242387 0.83 SLC6A3 (0.34) SOAT1MAOBMAOACHRNA1CHRNG
SCHEMBL11234440 0.82 MEN1 (0.39) SOAT1CA12CA1CA2CA7
SCHEMBL11243234 0.81 SOAT1 (0.33) SOAT1MAOBMAOACHRNA1CHRNG
SCHEMBL11244534 0.81 MAOB (0.38) SOAT1MAOBMAOACA12CA1
SCHEMBL11242518 0.81 CHRNA1 (0.37) MAOBMAOATLR9CHRNA1CHRNG
SCHEMBL10676662 0.80 MAOB (0.42) SOAT1MAOBMAOACA12CA1
SCHEMBL9518055 0.80 MAOB (0.42) SOAT1MAOBMAOACA12CA1
SCHEMBL11239752 0.80 SOAT1 (0.44) SOAT1
SCHEMBL11250459 0.79 SMN1; SMN2 (0.38) MAOBMAOACA12CA1CA2

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