SCHEMBL29010022

SCHEMBL29010022

O=C(O)CCCc1ccc(F)c(Br)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
F13A1 P00488 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR4 Q5NUL3 3/20 0.38
FFAR1 O14842 3/20 0.38

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
SCHEMBL30428485 1.00 HDAC3 (0.43) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL30427812 0.97 F13A1 (0.46) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL23782788 0.91 FFAR1 (0.46) FFAR4FFAR1
SCHEMBL29009960 0.84 HDAC3 (0.47) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL27724718 0.81 F13A1 (0.50) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL29009766 0.81 GPR17 (0.44) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL29009947 0.79 SMN1; SMN2 (0.43) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL23782854 0.79 FFAR4 (0.35) FFAR4FFAR1
SCHEMBL31674242 0.79 FFAR1 (0.47) FFAR4FFAR1
SCHEMBL19584858 0.78 NPC1 (0.45) HDAC3MAPK1ADRA1AHDAC4SLC6A3

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-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed