SCHEMBL9614255

SCHEMBL9614255

CCCCCC(C(=O)O)S(=O)(=O)CCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.42
S1PR2 O95136 3/20 0.42
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 2/20 0.42
SLC13A5 Q86YT5 2/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
GRIA4 P48058 1/20 0.40
ESRRG P62508 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KIF11 P52732 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
S1PR4 O95977 1/20 0.38

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
SCHEMBL9857963 0.88 ALDH1A1 (0.44) SLC13A5PPARGPPARAESRRGALDH1A1
SCHEMBL27274785 0.86 PPARA (0.47) S1PR2S1PR1S1PR3PPARGPPARA
SCHEMBL27273547 0.86 S1PR2 (0.46) S1PR2S1PR1S1PR3ALDH1A1S1PR4
SCHEMBL9613995 0.78 PPARA (0.53) S1PR2S1PR1S1PR3PPARGPPARA
SCHEMBL9614252 0.76 NR1H4 (0.48) SLC13A5GRIA4ESRRGHDAC3HDAC1
SCHEMBL9614269 0.76 PPARA (0.51) S1PR2S1PR1S1PR3PPARGPPARA
SCHEMBL10420392 0.75 TRPA1 (0.48) S1PR2S1PR1S1PR3HDAC3HDAC1
SCHEMBL9613974 0.75 TRPA1 (0.48) S1PR2S1PR1S1PR3HDAC3HDAC1
SCHEMBL9614023 0.75 PPARA (0.47) S1PR2S1PR1S1PR3PPARGPPARA
SCHEMBL9614242 0.74 TDP1 (0.43) S1PR2S1PR1S1PR3ALDH1A1HDAC1

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