SCHEMBL10879174

SCHEMBL10879174

CCCCCCCCOc1ccc(C(=O)Nc2ccc(OCC(O)C(N)C(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ LMNA P02545 2/20 0.55
▸ STAT3 P40763 1/20 0.55
▸ PPARG P37231 3/20 0.54
▸ PPARA Q07869 1/20 0.54
▸ NR1H4 Q96RI1 2/20 0.53
▸ S1PR1 P21453 2/20 0.53
▸ S1PR3 Q99500 2/20 0.53
▸ MAPT P10636 6/20 0.52
▸ PLA2G4B P0C869 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TSHR P16473 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MCL1 Q07820 1/20 0.50

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
SCHEMBL10881227 0.99 SMN1; SMN2 (0.56) SMN1; SMN2LMNASTAT3PPARGPPARA
SCHEMBL11035166 0.82 PLA2G4B (0.57) SMN1; SMN2LMNASTAT3PPARGPPARA
SCHEMBL2832501 0.81 SMN1; SMN2 (0.67) SMN1; SMN2LMNASTAT3NR1H4MAPT
SCHEMBL10879903 0.81 SMN1; SMN2 (0.53) SMN1; SMN2LMNASTAT3PPARGPPARA
SCHEMBL10879167 0.81 ADRB2 (0.63) SMN1; SMN2LMNASTAT3NR1H4MAPT
SCHEMBL10879545 0.81 ADRB2 (0.63) SMN1; SMN2LMNASTAT3NR1H4MAPT
Hydrochloric Acid SCHEMBL10878728 0.80 ADRB2 (0.61) SMN1; SMN2LMNASTAT3PPARGNR1H4
SCHEMBL22192246 0.80 SMN1; SMN2 (0.81) SMN1; SMN2LMNASTAT3NR1H4MAPT
SCHEMBL10880581 0.80 ADRB2 (0.64) SMN1; SMN2LMNASTAT3NR1H4MAPT
SCHEMBL8757069 0.79 SMN1; SMN2 (0.67) SMN1; SMN2LMNASTAT3NR1H4MAPT

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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