SCHEMBL9614252

SCHEMBL9614252

CC(CCCCC(=O)O)S(=O)(=O)CCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.48
EPHX2 P34913 1/20 0.44
SLC13A5 Q86YT5 2/20 0.44
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
GRIA4 P48058 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ESRRG P62508 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10533225 0.78 NR1H4 (0.67) NR1H4EPHX2SLC13A5RXRARXRB
SCHEMBL10472979 0.76 NR1H4 (0.65) NR1H4EPHX2SLC13A5RXRARXRB
SCHEMBL1453852 0.76 NR1H4 (0.73) NR1H4EPHX2SLC13A5RXRARXRB
SCHEMBL9614255 0.76 STS (0.42) NR1H4SLC13A5GRIA4HDAC3HDAC1
SCHEMBL1471504 0.75 NR1H4 (0.51) NR1H4EPHX2SLC13A5RXRARXRB
SCHEMBL9857963 0.74 ALDH1A1 (0.44) NR1H4SLC13A5HDAC1ESRRG
SCHEMBL846131 0.73 NR1H4 (0.71) NR1H4EPHX2SLC13A5RXRARXRB
SCHEMBL2484298 0.72 MMP12 (0.49) NR1H4EPHX2SLC13A5RXRARXRB
SCHEMBL2484440 0.72 MMP12 (0.49) NR1H4EPHX2SLC13A5RXRARXRB
SCHEMBL11143911 0.69 SRD5A2 (0.53) NR1H4EPHX2RXRARXRB

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
US-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed