SCHEMBL8243913

SCHEMBL8243913

CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OCCCCN)c(C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 5/20 0.58
▸ HPN P05981 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ SIRT5 Q9NXA8 1/20 0.58
▸ VCAM1 P19320 14/20 0.54
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL12042599 0.87 ALOX15 (0.60) ALOX15HPNMAPTSIRT5VCAM1
SCHEMBL14586319 0.87 VCAM1 (0.67) ALOX15HPNMAPTSIRT5VCAM1
SCHEMBL12042598 0.86 ALOX15 (0.62) ALOX15HPNMAPTSIRT5VCAM1
SCHEMBL5575964 0.84 ALOX15 (0.64) ALOX15HPNMAPTSIRT5VCAM1
SCHEMBL14586314 0.82 VCAM1 (0.53) ALOX15HPNMAPTSIRT5VCAM1
SCHEMBL13609378 0.81 VCAM1 (0.60) ALOX15HPNMAPTSIRT5VCAM1
Elsibucol SCHEMBL6002307 0.81 VCAM1 (0.73) ALOX15HPNMAPTSIRT5VCAM1
SCHEMBL12042584 0.81 ALOX15 (0.68) ALOX15HPNMAPTSIRT5VCAM1
SCHEMBL6000617 0.80 VCAM1 (0.73) ALOX15HPNMAPTSIRT5VCAM1
SCHEMBL14037559 0.80 VCAM1 (0.70) ALOX15HPNMAPTSIRT5VCAM1

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
WO-2007044726-A2 METHODS FOR REDUCING PLATELET ACTIVATION AND FOR THE TREATMENT OF THROMBOTIC EVENTS ATHEROGENICS, INC. (US) 2007-04-19 — — WO disclosed
WO-2003039231-A2 COMPOUNDS AND METHODS FOR TREATING TRANSPLANT REJECTION ATHEROGENICS, INC. (US) 2003-05-15 — — WO disclosed
Send feedback