SCHEMBL28083117

SCHEMBL28083117

CCCCOC(=O)C(CC(=O)Oc1ccccc1)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
FAAH O00519 7/20 0.43
ELANE P08246 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
STS P08842 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LTA4H P09960 1/20 0.39
LMNA P02545 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
SCHEMBL28245138 0.95 TSHR (0.46) RECQLTSHRFAAHALDH1A1CYP3A4
SCHEMBL27638641 0.95 TSHR (0.46) RECQLTSHRFAAHALDH1A1CYP3A4
SCHEMBL28245771 0.95 TSHR (0.46) RECQLTSHRFAAHALDH1A1CYP3A4
SCHEMBL28245117 0.95 TSHR (0.46) RECQLTSHRFAAHALDH1A1CYP3A4
SCHEMBL28245043 0.95 TSHR (0.46) RECQLTSHRFAAHALDH1A1CYP3A4
SCHEMBL28245044 0.95 TSHR (0.46) RECQLTSHRFAAHALDH1A1CYP3A4
SCHEMBL28245130 0.95 TSHR (0.46) RECQLTSHRFAAHALDH1A1CYP3A4
SCHEMBL28245774 0.92 ALDH1A1 (0.43) RECQLTDP1L3MBTL1FAAHELANE
SCHEMBL28245693 0.86 PIN1 (0.45) RECQLTSHRTDP1L3MBTL1ELANE
SCHEMBL7249169 0.85 FAAH (0.48) RECQLTSHRFAAHALDH1A1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 CN disclosed
CN-105814092-A Composition for hydrophilic cured product 三井化学株式会社 2016-07-27 CN disclosed