SCHEMBL4279100

SCHEMBL4279100

CCCCOC(=O)c1cccc(S(=O)(=O)Cl)c1C(=O)OCCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPK1 P28482 3/20 0.54
CYP3A4 P08684 3/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 6/20 0.52
LMNA P02545 3/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
STS P08842 2/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
ESR1 P03372 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2D6 P10635 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42
TRPA1 O75762 1/20 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
SCHEMBL560910 0.84 TSHR (0.77) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4301906 0.83 ALDH1A1 (0.62) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4893558 0.82 ALDH1A1 (0.70) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL11688981 0.82 ALDH1A1 (0.61) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL11762340 0.82 ALDH1A1 (0.61) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL15674629 0.81 TSHR (0.72) TSHRTDP1L3MBTL1MAPK1CYP3A4
Potassium Ion SCHEMBL11762347 0.81 ALDH1A1 (0.59) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4627248 0.80 TSHR (0.66) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL28620461 0.80 TSHR (0.70) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL28620465 0.80 TSHR (0.70) TSHRTDP1L3MBTL1MAPK1CYP3A4

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
EP-2035459-B1 COVALENT CONJUGATES OF COTTON AND SUBSTITUTES (VISCOSE, MODAL COTTON) WITH BIOACTIVE SUBSTANCES HAVING ANTISEPTIC, SANITIZING, ACARICIDAL AND INSECT REPELLENT ACTIVITY, AND A METHOD FOR OBTAINING THEM FRANZONI FILATI S P A (IT) 2009-12-16 EP disclosed
US-20090130187-A1 Covalent Conjugates of Cotton and Substitutes (Viscose, Modal Cotton) with Bioactive Substances Having Antiseptic, Sanitizing, Acaricidal and Insect Repellent Activity, and a Method for Obtaining Them FRANZONI FILATI S.P.A. (IT) 2009-05-21 US disclosed