SCHEMBL9780109

SCHEMBL9780109

CC(OC(=O)C(=O)O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ATM Q13315 2/20 0.39
PPARA Q07869 6/20 0.38
CYP2C19 P33261 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C9 P11712 1/20 0.36
PPARD Q03181 1/20 0.36
ALOX15 P16050 1/20 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
SCHEMBL9780106 0.92 PPARG (0.41) PPARGL3MBTL1ATMPPARACYP2C19
SCHEMBL21635705 0.81 PPARG (0.39) PPARGL3MBTL1ATMPPARACYP2C19
SCHEMBL8431401 0.79 HSD17B10 (0.42) PPARGL3MBTL1ATMPPARACYP2C19
SCHEMBL3235262 0.79 ALDH1A1 (0.41) PPARGL3MBTL1ATMPPARACYP2C19
SCHEMBL28450603 0.77 THRB (0.46) PPARGL3MBTL1ATMPPARACYP2C19
SCHEMBL4224012 0.76 CA4 (0.48) PPARGL3MBTL1ATMPPARACYP2C19
Bicarbonate SCHEMBL21635707 0.76 ALDH1A1 (0.43) PPARGL3MBTL1ATMPPARACYP2C19
SCHEMBL3235265 0.75 HCAR2 (0.45) PPARGL3MBTL1ATMPPARAKMT2A
SCHEMBL3235276 0.75 HCAR2 (0.45) PPARGL3MBTL1ATMPPARAKMT2A
SCHEMBL8431403 0.75 ALDH1A1 (0.47) MAPTCYP1A2TDP1ALDH1A1LMNA

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
JP-3258750-A None JP disclosed
JP-H03258750-A OXALIC ESTER FUJI PHOTO FILM CO LTD 1991-11-19 JP disclosed