SCHEMBL9075188

SCHEMBL9075188

C#CCOc1ccc(-c2[c]ccc(CC)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.47
MAOB P27338 15/20 0.46
MAOA P21397 9/20 0.46
ACHE P22303 1/20 0.43
CASR P41180 2/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 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
SCHEMBL7570063 0.79 MAPT (0.39) MAOBGAACA12CA1CA2
SCHEMBL8088676 0.77 NOTUM (0.39) CA12CA9
SCHEMBL7381752 0.75 CA12 (0.50) GSTP1MAOBMAOAACHECASR
SCHEMBL5320671 0.74 HSD17B10 (0.33) GAA
SCHEMBL5842276 0.72 NQO1 (0.42)
SCHEMBL4463655 0.72 MAPT (0.32) GAA
SCHEMBL1371003 0.72 TP53 (0.43)
SCHEMBL7154087 0.71 NPC1 (0.37) CA2
SCHEMBL15067982 0.71 TRPA1 (0.39)
SCHEMBL9155218 0.71 GSTP1 (0.68) GSTP1MAOBMAOAACHECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491123-A Herbicides containing 3-aminobenzo(B)thiophenes as antidotes BASF AKTIENGESELLSCHAFT (DE) 1996-02-13 US disclosed