SCHEMBL29009808

SCHEMBL29009808

CCCC(F)(F)c1cccc(CCCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
FFAR4 Q5NUL3 4/20 0.45
CYP1A2 P05177 2/20 0.44
FFAR1 O14842 2/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL30427841 1.00 HDAC1 (0.49) HDAC1HDAC8HDAC3MAPK1ADRA1A
SCHEMBL29010074 0.89 HDAC1 (0.51) HDAC1HDAC8HDAC3MAPK1ADRA1A
SCHEMBL30427914 0.89 HDAC1 (0.51) HDAC1HDAC8HDAC3MAPK1ADRA1A
SCHEMBL29009962 0.83 HSD17B10 (0.51) HDAC1HDAC8HDAC3MAPK1ADRA1A
SCHEMBL29009848 0.83 HDAC1 (0.54) HDAC1HDAC8HDAC3MAPK1ADRA1A
SCHEMBL30428201 0.83 HDAC1 (0.54) HDAC1HDAC8HDAC3MAPK1ADRA1A
SCHEMBL1981615 0.83 FFAR4 (0.59) HDAC1HDAC8HDAC3MAPK1ADRA1A
SCHEMBL30427732 0.81 HDAC1 (0.51) HDAC1HDAC8HDAC3MAPK1ADRA1A
SCHEMBL29009930 0.81 HDAC1 (0.51) HDAC1HDAC8HDAC3MAPK1ADRA1A
SCHEMBL29009814 0.80 HDAC1 (0.54) HDAC1HDAC8HDAC3MAPK1ADRA1A

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