SCHEMBL806440

SCHEMBL806440

Bc1ccc2c(cnn2C2CCCCO2)c1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
CYP4F2 P78329 5/20 0.41
CYP4A11 Q02928 5/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATR Q13535 8/20 0.31
PDE9A O76083 1/20 0.31
RET P07949 1/20 0.31
ESR1 P03372 1/20 0.31
MAPT P10636 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
SCHEMBL806443 0.85 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL767423 0.85 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30163157 0.85 ALDH1A1 (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL805877 0.84 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25242455 0.82 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL10228476 0.82 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30444945 0.82 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL785257 0.81 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29263977 0.81 ALDH1A1 (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL14553597 0.80 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016196337-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-12-08 WO disclosed
WO-2012037411-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2012037411-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed