SCHEMBL9848407

SCHEMBL9848407

OOCC(=Cc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
CYP19A1 P11511 4/20 0.45
AKR1C1 Q04828 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRMT1 Q99873 1/20 0.39
ESR1 P03372 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
SCHEMBL1486709 0.82 MTNR1A (0.51) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL294670 0.82 MTNR1A (0.47) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL5157146 0.79 MTNR1A (0.51) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL8873211 0.78 MTNR1A (0.44) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL8872181 0.78 MTNR1A (0.44) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL8872191 0.78 MTNR1A (0.44) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL3577074 0.77 HDAC3 (0.53) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL3577068 0.77 HDAC3 (0.53) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL3577072 0.77 HDAC3 (0.53) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL6673216 0.77 CYP19A1 (0.43) MTNR1AMTNR1BCYP19A1AKR1C1MEN1

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
EP-0405713-A1 Polymerization of liquid crystalline monomers EDISON POLYMER INNOVATION CORPORATION ( EPIC) (US) 1991-01-02 EP disclosed