SCHEMBL7769541

SCHEMBL7769541

COc1ccc(SCC(=O)c2ccccc2)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ ALDH1A1 P00352 10/20 0.54
▸ MAPT P10636 7/20 0.54
▸ LMNA P02545 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HSD11B1 P28845 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL7769539 0.83 NPC1 (0.71) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL6624870 0.81 NPC1 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL7115356 0.79 ALDH1A1 (0.55) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL2395083 0.78 ALDH1A1 (0.65) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL10726082 0.78 ALDH1A1 (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL11599893 0.77 ALDH1A1 (0.59) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL2499200 0.75 MAPT (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL6849659 0.75 L3MBTL1 (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL7637081 0.75 RAB9A (0.68) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL28507824 0.74 HSD11B1 (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT

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-0693488-B1 An improved process for preparing 3-(4-aminoethoxy-benzoyl)benzo beta -thiophenes LILLY CO ELI (US) 2001-09-19 — — EP disclosed
US-5523416-A Process for preparing 3-(4-aminoethoxy-benzoyl) benzo (B)-thiophenes ELI LILLY AND COMPANY (US) 1996-06-04 — — US disclosed
US-5512684-A Process for preparing 3-(4-aminoethoxy-benzoyl) benzo B!-thiophenes ELI LILLY AND COMPANY (US) 1996-04-30 — — US disclosed
EP-0693488-A1 An improved process for preparing 3-(4-aminoethoxy-benzoyl)benzo beta -thiophenes ELI LILLY AND COMPANY (US) 1996-01-24 — — EP disclosed
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