SCHEMBL10880785

SCHEMBL10880785

COc1ccc(C(=O)Nc2ccc(OC(NC(C)C)C(C)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.64
▸ NPC1 O15118 10/20 0.64
▸ TP53 P04637 5/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ ALOX15 P16050 2/20 0.64
▸ LMNA P02545 5/20 0.57
▸ ALDH1A1 P00352 8/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ KMT2A Q03164 6/20 0.53
▸ MAPT P10636 6/20 0.53
▸ MCL1 Q07820 2/20 0.53
▸ NR4A1 P22736 1/20 0.53
▸ MEN1 O00255 3/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HSD17B10 Q99714 2/20 0.52

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
SCHEMBL10878024 0.89 MAPT (0.51) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL10877054 0.86 NPC1 (0.61) RAB9ANPC1TP53SMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL11040780 0.85 NPC1 (0.60) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL10881018 0.84 SMN1; SMN2 (0.58) RAB9ANPC1TP53SMN1; SMN2LMNA
SCHEMBL10880685 0.83 NPC1 (0.64) RAB9ANPC1TP53SMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL10876746 0.82 NPC1 (0.63) RAB9ANPC1TP53SMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL10878734 0.81 SMN1; SMN2 (0.54) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL6799157 0.80 RAB9A (1.00) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL8770881 0.76 RAB9A (0.89) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL22192206 0.76 RAB9A (0.89) RAB9ANPC1TP53SMN1; SMN2ALOX15

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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