SCHEMBL10877455

SCHEMBL10877455

CCCCOc1ccc(C(=O)Nc2ccc(OCC(O)CCl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ LMNA P02545 2/20 0.62
▸ STAT3 P40763 1/20 0.62
▸ MAPT P10636 8/20 0.58
▸ KDM4E B2RXH2 5/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ TSHR P16473 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ MCL1 Q07820 1/20 0.56
▸ HPGD P15428 2/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.56
▸ PLA2G4B P0C869 1/20 0.55
▸ CHRNB2 P17787 2/20 0.54
▸ CHRNB4 P30926 2/20 0.54
▸ CHRNA3 P32297 2/20 0.54
▸ CHRNA7 P36544 2/20 0.54
▸ CHRNA4 P43681 2/20 0.54
▸ NR1H4 Q96RI1 2/20 0.54
▸ CHRNA10 Q9GZZ6 1/20 0.54

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
SCHEMBL22192246 0.85 SMN1; SMN2 (0.81) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL10876941 0.85 ADRB2 (0.67) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL10880581 0.83 ADRB2 (0.64) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL10877465 0.83 ADRB1 (0.57) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL10879545 0.82 ADRB2 (0.63) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL10879167 0.82 ADRB2 (0.63) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL10878167 0.82 NPC1 (0.66) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL11035166 0.81 PLA2G4B (0.57) SMN1; SMN2LMNASTAT3MAPTKDM4E
Hydrochloric Acid SCHEMBL10878728 0.81 ADRB2 (0.61) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL10876762 0.80 SMN1; SMN2 (0.72) SMN1; SMN2LMNASTAT3MAPTKDM4E

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
EP-0100051-B1 NEW DERIVATIVES OF 1-ALKYLAMINE-(4(P-ALKYLOXY-BENZAMIDE)PHENOXY)-2-PROPANOL, HAVING BETA-SYMPATHOLYTIC ACTIVITY, THEIR SALTS, AND PRODUCTION PROCESSES THEREOF A. Menarini S.a.S. (IT) 1986-04-09 — — EP disclosed
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