SCHEMBL10459353

SCHEMBL10459353

COC(=O)C(C)(C)CCCOc1ccc(OCCCCCOc2ccc3ccc(=O)oc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.58
CA9 Q16790 9/20 0.58
CA1 P00915 5/20 0.58
CA6 P23280 3/20 0.58
CA7 P43166 3/20 0.58
CA14 Q9ULX7 3/20 0.58
CA5B Q9Y2D0 3/20 0.58
CA4 P22748 3/20 0.58
CA2 P00918 2/20 0.58
CA3 P07451 1/20 0.58
CA5A P35218 2/20 0.55
MAOA P21397 6/20 0.53
MAOB P27338 6/20 0.53
CYP1A2 P05177 1/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 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
SCHEMBL8934537 0.97 CA12 (0.62) CA12CA9CA1CA6CA7
SCHEMBL8934524 0.85 CA12 (0.65) CA12CA9CA1CA6CA7
SCHEMBL24045405 0.80 CA12 (0.82) CA12CA9CA1CA6CA7
SCHEMBL8934483 0.80 AR (0.61) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL17299895 0.78 CA12 (0.53) CA12CA9CA1CA6CA7
SCHEMBL31086715 0.78 CA12 (0.65) CA12CA9CA1CA6CA7
SCHEMBL31086623 0.78 CA12 (0.77) CA12CA9CA1CA6CA7
SCHEMBL31086804 0.78 CA12 (0.77) CA12CA9CA1CA6CA7
SCHEMBL12679315 0.77 CA12 (0.64) CA12CA9CA1CA6CA7
SCHEMBL14356146 0.77 CA12 (0.64) CA12CA9CA1CA6CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4942242-A ANTICHOLESTEROL AGENTS KOJIMA TADAO (JP) 1990-07-17 US 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