SCHEMBL11035166

SCHEMBL11035166

CCCCCCCCOc1ccc(C(=O)Nc2ccc(OCC(O)CC(C)CN)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 1/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ LMNA P02545 2/20 0.54
▸ STAT3 P40763 1/20 0.54
▸ NR1H4 Q96RI1 2/20 0.52
▸ MAPT P10636 6/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ PPARG P37231 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ PPARA Q07869 1/20 0.50
▸ TSHR P16473 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ S1PR1 P21453 2/20 0.49
▸ S1PR3 Q99500 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MCL1 Q07820 1/20 0.49

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
SCHEMBL11034910 0.85 ADRB1 (0.55) SMN1; SMN2LMNANR1H4MAPTMEN1
SCHEMBL10879167 0.84 ADRB2 (0.63) PLA2G4BSMN1; SMN2LMNASTAT3NR1H4
SCHEMBL10879545 0.84 ADRB2 (0.63) PLA2G4BSMN1; SMN2LMNASTAT3NR1H4
Hydrochloric Acid SCHEMBL10878728 0.83 ADRB2 (0.61) PLA2G4BSMN1; SMN2LMNASTAT3NR1H4
SCHEMBL10880581 0.83 ADRB2 (0.64) PLA2G4BSMN1; SMN2LMNASTAT3NR1H4
SCHEMBL10879174 0.82 SMN1; SMN2 (0.55) PLA2G4BSMN1; SMN2LMNASTAT3NR1H4
SCHEMBL10877455 0.81 SMN1; SMN2 (0.62) PLA2G4BSMN1; SMN2LMNASTAT3NR1H4
SCHEMBL10881227 0.81 SMN1; SMN2 (0.56) PLA2G4BSMN1; SMN2LMNASTAT3NR1H4
SCHEMBL10877465 0.81 ADRB1 (0.57) PLA2G4BSMN1; SMN2LMNASTAT3NR1H4
SCHEMBL2832501 0.81 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0100051-A1 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) 1984-02-08 — — EP claimed
US-4503075-A ADRENERGIC BLOCKING AGENTS A. MENARINI S.A.S. (IT) 1985-03-05 — — US disclosed
EP-0100051-A1 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) 1984-02-08 — — EP disclosed
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