SCHEMBL806443

SCHEMBL806443

Bc1ccc2c(cnn2C2CCCCO2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP4F2 P78329 5/20 0.37
CYP4A11 Q02928 5/20 0.37
YTHDC1 Q96MU7 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATR Q13535 5/20 0.31
PDE9A O76083 2/20 0.31
PDE1A P54750 3/20 0.31
PDE1B Q01064 3/20 0.31
PDE1C Q14123 3/20 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
SCHEMBL806440 0.85 RXRA (0.43) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL21198430 0.85 ALDH1A1 (0.45) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL21263636 0.85 RXRA (0.43) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL768120 0.85 RXRA (0.43) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31642472 0.84 RXRA (0.43) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31437248 0.82 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL26674874 0.82 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL30641209 0.81 RXRA (0.41) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL29593446 0.81 RXRA (0.41) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL21379205 0.81 RXRA (0.41) RXRARXRBRXRGALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037411-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2012037410-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
WO-2012037410-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed
WO-2012037411-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed