SCHEMBL8969220

SCHEMBL8969220

C=CCc1cc(COCOCC)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.35
GABRB2 P47870 7/20 0.35
ALOX5 P09917 4/20 0.34
CNR2 P34972 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
ELANE P08246 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32

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
SCHEMBL8419659 0.84 KDM4E (0.39) GABRA1GABRB2ALOX5CNR2L3MBTL1
SCHEMBL8969225 0.79 ALDH1A1 (0.36) GABRA1GABRB2ALOX5CNR2L3MBTL1
SCHEMBL8418566 0.78 FDFT1 (0.45) GABRA1GABRB2ALOX5L3MBTL1LMNA
SCHEMBL27460107 0.77 APP (0.44) GABRA1GABRB2ALOX5L3MBTL1LMNA
SCHEMBL8419836 0.76 ALOX5 (0.41) GABRA1GABRB2ALOX5CNR2L3MBTL1
SCHEMBL8418604 0.76 ELANE (0.40) GABRA1GABRB2ALOX5CNR2L3MBTL1
SCHEMBL8422008 0.76 PPARA (0.49) PPARGPPARDPPARA
SCHEMBL8417976 0.76 PPARA (0.42) ALOX5PPARDPPARAPTGDRPTGDR2
SCHEMBL8969517 0.76 CYP4Z1 (0.40) ALOX5L3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL27460108 0.75 ALOX5 (0.36) GABRA1GABRB2ALOX5CNR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed