SCHEMBL10459082

SCHEMBL10459082

Cc1nc(-c2ccc(OCCCC(C)(C)C(N)=O)cc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.56
ATP4B P51164 2/20 0.56
RAB9A P51151 9/20 0.48
NPC1 O15118 5/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 3/20 0.47
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL10457438 0.91 ATP4A (0.56) ATP4AATP4BRAB9ANPC1ALDH1A1
SCHEMBL10459123 0.88 ATP4A (0.54) ATP4AATP4BRAB9ANPC1ALDH1A1
SCHEMBL10459156 0.87 ATP4A (0.56) ATP4AATP4BRAB9ANPC1ALDH1A1
SCHEMBL10459361 0.83 ATP4A (0.54) ATP4AATP4BRAB9ANPC1ALDH1A1
SCHEMBL10459383 0.80 RAB9A (0.46) ATP4AATP4BRAB9ANPC1ALDH1A1
SCHEMBL21845145 0.79 ATP4A (0.66) ATP4AATP4BRAB9ANPC1ALDH1A1
SCHEMBL19626566 0.79 ATP4A (0.65) ATP4AATP4BRAB9ANPC1ALDH1A1
SCHEMBL6327086 0.78 ATP4A (0.64) ATP4AATP4BRAB9ANPC1ALDH1A1
SCHEMBL727280 0.77 PRMT1 (0.58) ATP4AATP4B
SCHEMBL10543346 0.77 RAB9A (0.45) ATP4AATP4BRAB9ANPC1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4942242-A ANTICHOLESTEROL AGENTS KOJIMA TADAO (JP) 1990-07-17 US disclosed
EP-0320501-A2 Phenoxy derivatives, their preparation, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-06-14 EP disclosed
US-4798838-A ANTICOAGULANTS, ANTICHOLESTEROL AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-01-17 US disclosed
US-4795753-A Certain pyridyl or imidazol-1-yl-alkyleneoxy-(or amino)phenoxy-alkanoates having lipid lowering activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-01-03 US disclosed
US-4794113-A ANTICHOLESTEROL, ANTILIPEMIC, ANTICOAGULANT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-12-27 US disclosed