SCHEMBL8203579

SCHEMBL8203579

CC(=O)NCc1c(C(C2=C(O)C(C)(c3ccccc3)C2O)c2ccccc2)[nH]c2cc(C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
CYP19A1 P11511 2/20 0.35
EGFR P00533 1/20 0.33
MLKL Q8NB16 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 3/20 0.31
MAPT P10636 3/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL8208702 0.97 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRMLKL
SCHEMBL8196011 0.86 CYP19A1 (0.34) MTNR1AMTNR1BCYP19A1EGFRMLKL
SCHEMBL3280740 0.84 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRMLKL
SCHEMBL8202811 0.84 CYP19A1 (0.35) MTNR1AMTNR1BCYP19A1EGFRMLKL
SCHEMBL4510087 0.83 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRMLKL
SCHEMBL4492145 0.83 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRMLKL
SCHEMBL4492136 0.83 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRMLKL
SCHEMBL4499068 0.83 MTNR1A (0.37) MTNR1AMTNR1BCYP19A1EGFRMLKL
SCHEMBL4499073 0.83 MTNR1A (0.37) MTNR1AMTNR1BCYP19A1EGFRMLKL
SCHEMBL3280705 0.82 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRMLKL

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-2008043698-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-17 WO disclosed