SCHEMBL4099962

SCHEMBL4099962

[CH]=CCC=CCCCC=CCC=CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
ALDH1A1 P00352 9/20 0.37
PTGS1 P23219 5/20 0.37
MAPT P10636 4/20 0.37
F13A1 P00488 1/20 0.37
THRB P10828 1/20 0.37
FASN P49327 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 7/20 0.36
F7 P08709 7/20 0.36
F3 P13726 7/20 0.36
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
CYP19A1 P11511 4/20 0.36
KMT2A Q03164 3/20 0.36
OXER1 Q8TDS5 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
RXRA P19793 1/20 0.36
FFAR1 O14842 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35

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
SCHEMBL4099959 1.00 TRPV1 (0.39) TRPV1ALDH1A1PTGS1MAPTF13A1
SCHEMBL28730970 0.95 ALDH1A1 (0.39) TRPV1ALDH1A1PTGS1MAPTPPARG
SCHEMBL29284344 0.93 TRPV1 (0.35) TRPV1ALDH1A1PTGS1MAPTPPARG
SCHEMBL27874173 0.91 TRPV1 (0.39) TRPV1ALDH1A1PTGS1MAPTF13A1
SCHEMBL2551469 0.87
SCHEMBL2551472 0.87
SCHEMBL29284232 0.86 ALDH1A1 (0.38) ALDH1A1PTGS1MAPTPPARGF7
SCHEMBL29284234 0.86 ALDH1A1 (0.38) ALDH1A1PTGS1MAPTPPARGF7
SCHEMBL29284443 0.86 ALDH1A1 (0.38) ALDH1A1PTGS1MAPTPPARGF7
SCHEMBL3839180 0.85 TRPV1 (0.44) TRPV1ALDH1A1PTGS1MAPTPPARG

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
EP-2061560-A2 BCL INHIBITORS FOR TREATING PLATELET EXCESS Abbott Laboratories (US) 2009-05-27 EP disclosed
WO-2008030836-A2 BCL INHIBITORS TREATING PLATELET EXCESS ABBOTT LABORATORIES (US) 2008-03-13 WO disclosed