SCHEMBL10680554

SCHEMBL10680554

CCCCOC(=O)[C@@H](CCc1ccccc1)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
PPARG P37231 5/20 0.41
PTGES O14684 4/20 0.41
ALOX5 P09917 4/20 0.41
GAA P10253 1/20 0.39
PPARA Q07869 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL9773184 0.95 TSHR (0.42) CTSKTSHRTDP1L3MBTL1ALDH1A1
SCHEMBL9773189 0.95 TSHR (0.42) CTSKTSHRTDP1L3MBTL1ALDH1A1
SCHEMBL9773229 0.95 TSHR (0.42) CTSKTSHRTDP1L3MBTL1ALDH1A1
SCHEMBL9773226 0.95 TSHR (0.42) CTSKTSHRTDP1L3MBTL1ALDH1A1
SCHEMBL1858577 0.88 SMN1; SMN2 (0.46) L3MBTL1PPARGPPARA
SCHEMBL9773201 0.88 SMN1; SMN2 (0.46) L3MBTL1PPARGPPARA
SCHEMBL5674353 0.88 SMN1; SMN2 (0.46) L3MBTL1PPARGPPARA
SCHEMBL7375987 0.84 BLM (0.41) TDP1L3MBTL1ALDH1A1MAPK1PPARG
SCHEMBL7344531 0.84 BLM (0.41) TDP1L3MBTL1ALDH1A1MAPK1PPARG
SCHEMBL5012826 0.84 BLM (0.41) TDP1L3MBTL1ALDH1A1MAPK1PPARG

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-4734410-A Lactam derivatives and their use as hypotensive agents SANKYO COMPANY LIMITED (JP) 1988-03-29 US disclosed