SCHEMBL10878024

SCHEMBL10878024

CC(C)NC(Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(C)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ KMT2A Q03164 7/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ HTT P42858 2/20 0.51
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ ENPP3 O14638 4/20 0.48
▸ ENPP1 P22413 4/20 0.48
▸ ENPP2 Q13822 1/20 0.48
▸ NT5E P21589 1/20 0.46

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
SCHEMBL10880785 0.89 RAB9A (0.64) MAPTALDH1A1TP53LMNAHSD17B10
SCHEMBL10877054 0.85 NPC1 (0.61) MAPTALDH1A1TP53LMNAHSD17B10
Hydrochloric Acid SCHEMBL11040780 0.84 NPC1 (0.60) MAPTALDH1A1TP53LMNAHSD17B10
SCHEMBL10881018 0.83 SMN1; SMN2 (0.58) MAPTALDH1A1TP53LMNAHSD17B10
SCHEMBL10880685 0.82 NPC1 (0.64) MAPTALDH1A1TP53LMNAHSD17B10
Hydrochloric Acid SCHEMBL10876746 0.81 NPC1 (0.63) MAPTALDH1A1TP53LMNAHSD17B10
Hydrochloric Acid SCHEMBL10878734 0.80 SMN1; SMN2 (0.54) MAPTALDH1A1LMNAHSD17B10KDM4E
SCHEMBL28914928 0.79 MEN1 (0.71) MAPTALDH1A1TP53LMNAHSD17B10
SCHEMBL28914925 0.79 MEN1 (0.71) MAPTALDH1A1TP53LMNAHSD17B10
SCHEMBL2121351 0.75 NPC1 (0.83) ALDH1A1TP53KDM4EKMT2AMEN1

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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