SCHEMBL8686339

SCHEMBL8686339

CC1=C(CC(=O)O)c2cc(F)c(F)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.36
RXRA P19793 4/20 0.35
AGBL2 Q5U5Z8 1/20 0.34
CYP1A2 P05177 3/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 3/20 0.32
PTGS2 P35354 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
EGFR P00533 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
DRD1 P21728 1/20 0.32
PTGS1 P23219 1/20 0.32
OPRM1 P35372 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CYSLTR1 Q9Y271 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
SCHEMBL7040141 0.89 PPARG (0.34) PPARGRXRAAGBL2CYP1A2MAPT
SCHEMBL11663434 0.86 LMNA (0.37) PPARGMAPK1TDP1PTGDR2ALDH1A1
SCHEMBL1387817 0.84 PPARG (0.49) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL6936638 0.83 HSP90AB1 (0.36) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL31288115 0.81 PPARG (0.49) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL11663913 0.81 METAP1 (0.42) PPARGCYP1A2MAPTPTGS2PTGDR2
SCHEMBL11662018 0.81 PTGS2 (0.34) PPARGRXRAPTGS2ALDH1A1AKR1B1
SCHEMBL20409091 0.78 HSD17B10 (0.41) MAPTTDP1ALDH1A1KMT2ACYP3A4
SCHEMBL11662750 0.78 ABCB11 (0.38) PPARGPTGS2PTGDR2KDM4EABCB11
SCHEMBL11663761 0.78 PPARG (0.38) PPARGTDP1PTGDR2ALDH1A1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776962-A Lactone compounds for treating patient with precancerous lesions CELL PATHWAYS, INC. (US) 1998-07-07 US disclosed
US-5696159-A Lactone compounds for treating patients with precancerous lesions CELL PATHWAYS, INC. (US) 1997-12-09 US disclosed
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