SCHEMBL6533677

SCHEMBL6533677

CC1=Cc2c(O)ccc3cccc(c23)C1OC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
KMT2A Q03164 5/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 2/20 0.33
EPHX1 P07099 1/20 0.33
TSHR P16473 1/20 0.33
CHRNA7 P36544 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
JAK2 O60674 1/20 0.32
USP2 O75604 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX15 P16050 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
SCHEMBL6534142 0.85 PPARG (0.38) PPARGKMT2AMAPTMEN1TDP1
SCHEMBL6533674 0.76 ESR1 (0.37) PPARGKMT2AMAPTMEN1TDP1
SCHEMBL5140862 0.72 MEN1 (0.34) PPARGKMT2AMAPTMEN1TDP1
SCHEMBL9282200 0.69 KMT2A (0.38) PPARGKMT2AMAPTMEN1TDP1
SCHEMBL6534139 0.66 ESR1 (0.37) PPARGKMT2AMAPTMEN1ESR1
SCHEMBL21778844 0.65 F2 (0.50) KMT2AMAPTMEN1TDP1GAA
SCHEMBL27969264 0.63 ALDH1A1 (0.32) TDP1TSHRHSD17B10
SCHEMBL27053129 0.63 GAA (0.41) PPARGKMT2AMAPTMEN1TDP1
SCHEMBL24278700 0.62 GAA (0.46) PPARGKMT2AMAPTMEN1TDP1
SCHEMBL24279060 0.62 GAA (0.43) PPARGKMT2AMAPTMEN1TDP1

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-1572716-A2 METHODS FOR SYNTHESIS OF LIQUID CRYSTALS Southwest Research Institute (US) 2005-09-14 EP disclosed
EP-1572716-A4 METHODS FOR SYNTHESIS OF LIQUID CRYSTALS SOUTHWEST RES INST (US) 2005-09-14 EP disclosed
WO-2002066493-A2 METHODS FOR SYNTHESIS OF LIQUID CRYSTALS SOUTHWEST RESEARCH INSTITUTE (US) 2002-08-29 WO disclosed