SCHEMBL28292529

SCHEMBL28292529

O=C(O)CCCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
NR3C2 P08235 1/20 0.49
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1567847 0.90 NR3C2 (0.51) NR3C2FFAR1FFAR4
SCHEMBL30151151 0.90 NR3C2 (0.51) NR3C2FFAR1FFAR4
SCHEMBL30428260 0.88 CYP1A2 (0.50) CYP1A2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL24264909 0.88 CYP1A2 (0.50) CYP1A2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL27841065 0.82 NR3C2 (0.52) NR3C2EPHX1PTPN7DUSP3
SCHEMBL6954266 0.82 CYP1A2 (0.57) CYP1A2HDAC3MAPK1ADRA1AHDAC4
Hydrochloric Acid SCHEMBL7358774 0.80 CYP1A2 (0.56) CYP1A2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL30120926 0.80 RXRA (0.57) NR3C2HSD17B10EPHX1MAPTRXRA
SCHEMBL308545 0.80 RXRA (0.57) NR3C2HSD17B10EPHX1MAPTRXRA
SCHEMBL81056 0.80 NR3C2 (0.47) NR3C2EPHX1PTPN7DUSP3FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116209433-B Small molecule albumin binding agents 俄勒冈健康科学大学 2025-05-23 CN disclosed
CN-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed
CN-109810567-A Inorganic nano material prints ink and its preparation method and application TCL集团股份有限公司 2019-05-28 CN disclosed
CN-109810568-A Inorganic nano material prints ink and its preparation method and application TCL集团股份有限公司 2019-05-28 CN disclosed
CN-109810572-A Inorganic nano material prints ink and its preparation method and application 深圳TCL工业研究院有限公司 2019-05-28 CN disclosed
CN-109810574-A Inorganic nano material prints ink and its preparation method and application 深圳TCL工业研究院有限公司 2019-05-28 CN disclosed
CN-109810571-A Inorganic nano material prints ink and its preparation method and application TCL集团股份有限公司 2019-05-28 CN disclosed
CN-109810573-A Inorganic nano material prints ink and its preparation method and application TCL集团股份有限公司 2019-05-28 CN disclosed
CN-109810570-A Inorganic nano material prints ink and its preparation method and application TCL集团股份有限公司 2019-05-28 CN disclosed