SCHEMBL29010046

SCHEMBL29010046

CCC(F)(F)c1ccc(CCCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HDAC3 O15379 1/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
HDAC4 P56524 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
NR1H4 Q96RI1 1/20 0.51
RXRA P19793 3/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49

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
SCHEMBL29009962 0.88 HSD17B10 (0.51) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL29009927 0.83 NR1H4 (0.57) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL1454387 0.83 FFAR1 (0.60) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL29010074 0.82 HDAC1 (0.51) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL30427914 0.82 HDAC1 (0.51) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
Hydrochloric Acid SCHEMBL2763476 0.81 FFAR1 (0.59) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL29010024 0.81 HSD17B10 (0.54) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL29009998 0.80 SMN1; SMN2 (0.56) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL1453852 0.80 NR1H4 (0.73) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL18448134 0.80 RXRA (0.51) HSD17B10NR1H4RXRARXRBRXRG

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