SCHEMBL27638641

SCHEMBL27638641

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
FAAH O00519 6/20 0.45
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARG P37231 3/20 0.41
STS P08842 2/20 0.41

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
SCHEMBL28245117 1.00 TSHR (0.46) TSHRALDH1A1LMNAFAAHTP53
SCHEMBL28245138 1.00 TSHR (0.46) TSHRALDH1A1LMNAFAAHTP53
SCHEMBL28245771 1.00 TSHR (0.46) TSHRALDH1A1LMNAFAAHTP53
SCHEMBL28245130 1.00 TSHR (0.46) TSHRALDH1A1LMNAFAAHTP53
SCHEMBL28245044 1.00 TSHR (0.46) TSHRALDH1A1LMNAFAAHTP53
SCHEMBL28245043 1.00 TSHR (0.46) TSHRALDH1A1LMNAFAAHTP53
SCHEMBL28083117 0.95 RECQL (0.44) TSHRALDH1A1LMNAFAAHTP53
SCHEMBL7249169 0.90 FAAH (0.48) TSHRALDH1A1LMNAFAAHTP53
SCHEMBL26127105 0.90 FAAH (0.48) TSHRALDH1A1LMNAFAAHTP53
SCHEMBL28245774 0.90 ALDH1A1 (0.43) ALDH1A1LMNAFAAHZDHHC2SMN1; SMN2

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 3 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-100364649-C Aqueous emulsion polymer as dispersant EFKA ADDITIVES B V (NL) 2008-01-30 CN disclosed
CN-1713955-A Aqueous emulsion polymers as dispersants EFKA ADDITIVES B V (NL) 2005-12-28 CN disclosed