SCHEMBL29010041

SCHEMBL29010041

CC(F)(F)Cc1cccc(CCCC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
HDAC3 O15379 1/20 0.56
MAPK1 P28482 1/20 0.56
ADRA1A P35348 1/20 0.56
HDAC4 P56524 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
CYP1A2 P05177 2/20 0.50
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL30428246 1.00 SMN1; SMN2 (0.56) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL25342051 0.85 HDAC3 (0.76) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL29009824 0.83 HSD17B10 (0.59) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL30428201 0.83 HDAC1 (0.54) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL29009848 0.83 HDAC1 (0.54) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL29009897 0.80 SMN1; SMN2 (0.63) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL30427751 0.80 SMN1; SMN2 (0.63) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL29010038 0.80 SMN1; SMN2 (0.63) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL10290715 0.80 SMN1; SMN2 (0.63) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL29009814 0.80 HDAC1 (0.54) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4

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