SCHEMBL8796302

SCHEMBL8796302

COc1ccc(C=C(C)C(=O)O)cc1F.COc1ccc(CC(C)C(=O)O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.51
LDHA P00338 1/20 0.46
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
MMP1 P03956 3/20 0.42
PPARG P37231 1/20 0.41
PRSS1 P07477 1/20 0.39
TMPRSS15 P98073 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 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
SCHEMBL6938099 0.86 LDHA (0.60) TUBB1LDHAPPARDPPARAPRSS1
SCHEMBL6933180 0.84 TUBB1 (0.67) TUBB1LMNAMAPK1HTTRAB9A
SCHEMBL6933178 0.84 TUBB1 (0.67) TUBB1LMNAMAPK1HTTRAB9A
SCHEMBL11861762 0.76 PRSS1 (0.52) LDHAPPARDPPARAPPARGPRSS1
SCHEMBL15570321 0.75 LDHA (0.56) TUBB1LDHAPPARDPPARAMMP1
SCHEMBL8012680 0.74 LDHA (0.59) LDHAPPARGLMNAMAPK1HTT
SCHEMBL15881661 0.74 LDHA (0.55) TUBB1LDHALMNAMAPK1HTT
SCHEMBL31329364 0.74 LDHA (0.59) LDHAPPARGLMNAMAPK1HTT
SCHEMBL5986172 0.74 LDHA (0.68) LDHAMMP1LMNAMAPK1HTT
SCHEMBL28741565 0.74 LDHA (0.59) LDHAPPARGLMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723442-A4 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS INC (US) 1997-06-11 EP disclosed
EP-0723442-A1 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1996-07-31 EP disclosed
WO-1996003987-A1 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1996-02-15 WO disclosed