SCHEMBL8208702

SCHEMBL8208702

CC(=O)NCc1c(C(C2=C(O)C(C)(c3ccc(C)cc3)C2O)c2ccccc2)[nH]c2cc(C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
CYP19A1 P11511 2/20 0.37
EGFR P00533 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MLKL Q8NB16 1/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 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
SCHEMBL8203579 0.97 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRRXFP1
SCHEMBL8202811 0.87 CYP19A1 (0.35) MTNR1AMTNR1BCYP19A1EGFRMLKL
SCHEMBL3280705 0.84 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRRXFP1
SCHEMBL8196011 0.84 CYP19A1 (0.34) MTNR1AMTNR1BCYP19A1EGFRMLKL
SCHEMBL8203863 0.83 MLKL (0.42) CYP19A1RXFP1TP53MAPTMLKL
SCHEMBL8195891 0.83 CYP19A1 (0.36) CYP19A1MLKLRAB9A
SCHEMBL3280740 0.82 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRRXFP1
SCHEMBL4492145 0.81 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRRXFP1
SCHEMBL4492136 0.81 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRRXFP1
SCHEMBL4510087 0.81 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFRRXFP1

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