SCHEMBL19209481

SCHEMBL19209481

CCOC(=O)CCc1cc(OC)ccc1-c1ccc(-c2cccc(CO)c2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.48
MTNR1B P49286 6/20 0.48
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
PPARG P37231 2/20 0.41
SYK P43405 2/20 0.40
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 4/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL19209441 0.94 MTNR1A (0.46) MTNR1AMTNR1BCYP4F2CYP4A11PPARG
SCHEMBL19209418 0.84 PPARG (0.44) MTNR1AMTNR1BPPARGPTPN1ALDH1A1
SCHEMBL1892714 0.82 MTNR1A (0.47) MTNR1AMTNR1BCYP4F2CYP4A11PPARG
SCHEMBL35843127 0.82 MTNR1A (0.47) MTNR1AMTNR1BCYP4F2CYP4A11PPARG
SCHEMBL19257206 0.82 FFAR1 (0.53) MTNR1AMTNR1BPPARGFFAR1
SCHEMBL19257207 0.80 MTNR1A (0.45) MTNR1AMTNR1BCYP4F2CYP4A11PPARG
SCHEMBL12660791 0.80 MTNR1A (0.43) MTNR1AMTNR1BCYP4F2CYP4A11PPARG
SCHEMBL1822788 0.80 CYP4F2 (0.48) MTNR1AMTNR1BCYP4F2CYP4A11PPARG
SCHEMBL19209477 0.80 POLB (0.45) CYP4F2CYP4A11PPARGALDH1A1TDP1
SCHEMBL1823881 0.78 MTNR1A (0.44) MTNR1AMTNR1BPPARGMAPT

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
WO-2017134146-A1 GPBP INHIBITORS AND USES AND SCALEABLE SYNTHESIS THEREOF FIBROSTATIN, S.L. (ES) 2017-08-10 WO disclosed