SCHEMBL28577415

SCHEMBL28577415

OCc1ccc2c(c1)c(F)nn2C1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
CYP4F2 P78329 5/20 0.39
CYP4A11 Q02928 5/20 0.39
CNR2 P34972 2/20 0.34
ATR Q13535 2/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CNR1 P21554 1/20 0.32
RET P07949 1/20 0.32
NAMPT P43490 1/20 0.31
PRKACA P17612 1/20 0.31
RPS6KB1 P23443 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
PGR P06401 1/20 0.31
RIPK1 Q13546 1/20 0.31
JAK3 P52333 1/20 0.31
S1PR1 P21453 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
SCHEMBL10231506 0.88 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL9952378 0.83 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL18295841 0.81 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21198696 0.81 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20176296 0.81 CYP4F2 (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL767404 0.81 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20163477 0.81 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL15744178 0.81 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL28589805 0.80 CYP4F2 (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL18261078 0.79 CYP4F2 (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106518768-B Acrylic acid derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-07-02 CN disclosed