SCHEMBL27737645

SCHEMBL27737645

O=C1C=C2CCCCC2C2CCCCC12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
TLR4 O00206 1/20 0.39
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM1A O60341 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL7638129 0.76 CYP19A1 (0.47) CYP19A1TLR4KDM4EPOLBL3MBTL1
SCHEMBL7638140 0.74 CYP19A1 (0.46) CYP19A1TLR4CA1CA2CA4
SCHEMBL7642303 0.74 CYP19A1 (0.46) CYP19A1TLR4CA1CA2CA4
SCHEMBL7637198 0.74 CYP19A1 (0.46) CYP19A1TLR4CA1CA2CA4
SCHEMBL7932965 0.74 CYP19A1 (0.46) CYP19A1TLR4CA1CA2CA4
SCHEMBL7642146 0.74 CYP19A1 (0.46) CYP19A1TLR4CA1CA2CA4
SCHEMBL7939436 0.74 CYP19A1 (0.46) CYP19A1TLR4CA1CA2CA4
SCHEMBL7641866 0.72 CYP19A1 (0.43) CYP19A1TLR4CA1CA2CA4
SCHEMBL7639300 0.72 CYP19A1 (0.43) CYP19A1TLR4CA1CA2CA4
SCHEMBL7637078 0.71 CYP19A1 (0.43) CYP19A1TLR4CA1CA2CA4

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
CN-100422124-C Fused ring compound DAINIPPON INK & CHEMICALS (JP) 2008-10-01 CN disclosed