SCHEMBL14586318

SCHEMBL14586318

C=CC(=O)OCCCCOc1c(C(C)(C)C)cc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 14/20 0.53
▸ ALOX15 P16050 3/20 0.49
▸ HPN P05981 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SIRT5 Q9NXA8 1/20 0.49
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.38

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
SCHEMBL14586319 0.80 VCAM1 (0.67) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12042599 0.80 ALOX15 (0.60) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL14586314 0.80 VCAM1 (0.53) VCAM1ALOX15HPNMAPTSIRT5
Elsibucol SCHEMBL6002307 0.79 VCAM1 (0.73) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL13609378 0.79 VCAM1 (0.60) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL8243913 0.79 ALOX15 (0.58) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12042598 0.79 ALOX15 (0.62) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL6000617 0.78 VCAM1 (0.73) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL14037559 0.78 VCAM1 (0.70) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL15437699 0.78 GAA (0.59) ALOX15MAPTTSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183317-B2 Compounds and methods to increase plasma HDL cholesterol levels and improve HDL functionality ATHEROGENICS, INC. (US) 2007-02-27 — — US disclosed
US-7183317-B2 Compounds and methods to increase plasma HDL cholesterol levels and improve HDL functionality ATHEROGENICS, INC. (US) 2007-02-27 — — US disclosed
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