SCHEMBL10877460

SCHEMBL10877460

CCCCOc1ccc(C(=O)Nc2ccc(OC(Cl)C(C)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ LMNA P02545 2/20 0.60
▸ STAT3 P40763 1/20 0.60
▸ MAPT P10636 8/20 0.57
▸ KDM4E B2RXH2 5/20 0.56
▸ HSD17B10 Q99714 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ MCL1 Q07820 1/20 0.55
▸ HPGD P15428 2/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.55
▸ NR1H4 Q96RI1 2/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ NPC1 O15118 3/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ TP53 P04637 2/20 0.51

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 0.84 SMN1; SMN2 (0.81) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL10878171 0.84 NPC1 (0.67) SMN1; SMN2LMNAMAPTKDM4EHSD17B10
SCHEMBL10881018 0.84 SMN1; SMN2 (0.58) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL10877468 0.81 NR1H4 (0.55) SMN1; SMN2LMNASTAT3MAPTKDM4E
Hydrochloric Acid SCHEMBL10878734 0.80 SMN1; SMN2 (0.54) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL10877455 0.80 SMN1; SMN2 (0.62) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL22722604 0.79 NPC1 (0.78) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL10876762 0.79 SMN1; SMN2 (0.72) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL8361570 0.79 SMN1; SMN2 (0.72) SMN1; SMN2LMNASTAT3MAPTKDM4E
SCHEMBL4257510 0.78 NR1H4 (0.76) 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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