SCHEMBL13818521

SCHEMBL13818521

C=C(CO)c1ccc(-c2cccc(CC)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.62
PTGS2 P35354 1/20 0.49
FGFR1 P11362 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
IDO1 P14902 1/20 0.42
PRKCI P41743 1/20 0.40
MME P08473 1/20 0.39
AOC3 Q16853 6/20 0.38
DHFR P00374 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MMP3 P08254 1/20 0.37

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
SCHEMBL13818514 0.83 BCL2 (0.71) BCL2PTGS2FGFR1RXRARXRB
SCHEMBL13818585 0.83 ALDH1A1 (0.45) BCL2RXRARXRB
SCHEMBL13675346 0.81 BCL2 (0.71) BCL2PTGS2FGFR1RXRARXRB
SCHEMBL13818693 0.78 BCL2 (0.63) BCL2PTGS2FGFR1RXRARXRB
SCHEMBL12894971 0.78 BCL2 (0.62) BCL2PTGS2FGFR1IDO1PRKCI
SCHEMBL13099462 0.77 BCL2 (0.76) BCL2PTGS2FGFR1RXRARXRB
SCHEMBL12894973 0.77 BCL2 (1.00) BCL2PTGS2RXRARXRBAOC3
SCHEMBL16795609 0.77 ALDH1A1 (0.50) RXRARXRBIDO1
SCHEMBL9007144 0.77 BCL2 (0.65) BCL2PTGS2FGFR1IDO1PRKCI
SCHEMBL10204736 0.77 SMN1; SMN2 (0.45) MMP3

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-2070909-A1 Non-steroidal progesterone receptor modulators Bayer Schering Pharma AG (DE) 2009-06-17 EP disclosed