SCHEMBL10877468

SCHEMBL10877468

CCCCCOc1ccc(C(=O)Nc2ccc(OC(NCCC)C(C)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ STAT3 P40763 1/20 0.55
▸ MAPT P10636 7/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ TSHR P16473 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ HIF1A Q16665 1/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ PPARG P37231 3/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47

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
Hydrochloric Acid SCHEMBL10878734 0.86 SMN1; SMN2 (0.54) NR1H4SMN1; SMN2LMNASTAT3MAPT
SCHEMBL10881018 0.86 SMN1; SMN2 (0.58) NR1H4SMN1; SMN2LMNASTAT3MAPT
SCHEMBL10877460 0.81 SMN1; SMN2 (0.60) NR1H4SMN1; SMN2LMNASTAT3MAPT
SCHEMBL22192246 0.80 SMN1; SMN2 (0.81) NR1H4SMN1; SMN2LMNASTAT3MAPT
SCHEMBL8363731 0.78 SMN1; SMN2 (0.69) NR1H4SMN1; SMN2LMNASTAT3MAPT
SCHEMBL10877465 0.77 ADRB1 (0.57) NR1H4SMN1; SMN2LMNASTAT3MAPT
SCHEMBL10880581 0.77 ADRB2 (0.64) NR1H4SMN1; SMN2LMNASTAT3MAPT
SCHEMBL10879903 0.77 SMN1; SMN2 (0.53) NR1H4SMN1; SMN2LMNASTAT3MAPT
SCHEMBL8390958 0.77 SMN1; SMN2 (0.67) NR1H4SMN1; SMN2LMNASTAT3MAPT
SCHEMBL8757069 0.77 SMN1; SMN2 (0.67) NR1H4SMN1; SMN2LMNASTAT3MAPT

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 claimed
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