SCHEMBL29010092

SCHEMBL29010092

O=C(O)CCCc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
FFAR4 Q5NUL3 2/20 0.47
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
F13A1 P00488 3/20 0.42
S1PR1 P21453 1/20 0.42
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 3/20 0.41
P2RX7 Q99572 3/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL30426988 0.97 F13A1 (0.47) IDO1FFAR4HDAC3HDAC1HDAC2
SCHEMBL1508573 0.92 FFAR4 (0.54) IDO1FFAR4HDAC3HDAC1HDAC2
SCHEMBL29009985 0.89 FFAR4 (0.41) IDO1FFAR4HDAC3HDAC1HDAC2
SCHEMBL30427787 0.89 FFAR4 (0.41) IDO1FFAR4HDAC3HDAC1HDAC2
SCHEMBL27818434 0.83 POLQ (0.51) FFAR4F13A1S1PR1PPARG
SCHEMBL892786 0.81 IDO1 (0.53) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL5723611 0.81 IDO1 (0.53) IDO1FFAR4HDAC3HDAC1HDAC2
SCHEMBL29172379 0.80 CYSLTR2 (0.51) F13A1S1PR1PPARG
SCHEMBL30427744 0.80 HDAC1 (0.54) FFAR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL1508565 0.80 HDAC1 (0.54) FFAR4HDAC3HDAC1HDAC2HDAC6

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 2 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