SCHEMBL22106155

SCHEMBL22106155

CC(C)(CCCCc1ccc(S(=O)(=O)Nc2ncc(C(=O)O)cn2)cc1)CC(C)(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ AKT1 P31749 4/20 0.35
▸ IRS1 P35568 3/20 0.35
▸ GAB1 Q13480 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NAMPT P43490 4/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ CASP6 P55212 1/20 0.33

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
SCHEMBL22105971 0.96 TDP1 (0.38) GHSRTDP1AKT1IRS1GAB1
SCHEMBL22105998 0.89 NAMPT (0.38) TDP1NAMPT
SCHEMBL22105999 0.88 TDP1 (0.39) GHSRTDP1KDM4ELMNA
SCHEMBL22105963 0.86 HDAC3 (0.41) KDM4ELMNAHDAC1
SCHEMBL22111934 0.84 ALDH1A1 (0.35) TDP1
SCHEMBL22105974 0.82 TDP1 (0.37) TDP1NAMPTHDAC1CASP6
SCHEMBL31682097 0.82 TBXA2R (0.43) GHSRTDP1AKT1IRS1GAB1
SCHEMBL31681966 0.82 TBXA2R (0.43) GHSRTDP1AKT1IRS1GAB1
SCHEMBL31682020 0.82 TBXA2R (0.43) GHSRTDP1AKT1IRS1GAB1
SCHEMBL22105937 0.80 HDAC3 (0.41) KDM4ENAMPTHDAC1

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
WO-2020120463-A1 INSULIN CONJUGATES SANOFI (FR) 2020-06-18 — — WO disclosed
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