SCHEMBL3662935

SCHEMBL3662935

C=CCOS(=O)(=O)C(CCCCCCCC)(CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
BLM P54132 4/20 0.34
HSD17B10 Q99714 3/20 0.34
GMNN O75496 2/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 2/20 0.34
POLB P06746 2/20 0.34
CYP2C9 P11712 2/20 0.34
APEX1 P27695 2/20 0.34
CYP2C19 P33261 2/20 0.34
RECQL P46063 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HSPD1 P10809 1/20 0.33
HSPE1 P61604 1/20 0.33
TERT O14746 3/20 0.33
PTPN1 P18031 3/20 0.33
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 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
SCHEMBL1115572 0.95 TSHR (0.35) TSHRBLMHSD17B10GMNNUSP2
SCHEMBL3655591 0.94 TSHR (0.35) TSHRBLMHSD17B10GMNNUSP2
SCHEMBL3662743 0.94 TSHR (0.35) TSHRBLMHSD17B10GMNNUSP2
SCHEMBL3660591 0.94 TSHR (0.35) TSHRBLMHSD17B10GMNNUSP2
SCHEMBL1115339 0.89 TSHR (0.30) TSHR
SCHEMBL3657365 0.89 TSHR (0.31) TSHR
SCHEMBL1462300 0.83 TSHR (0.38) TSHRBLMHSD17B10GMNNUSP2
SCHEMBL3656473 0.80 TSHR (0.38) TSHRBLMRECQL
Potassium Ion SCHEMBL3662556 0.80 TSHR (0.38) TSHR
SCHEMBL3663294 0.80 TSHR (0.38) TSHRBLMRECQL

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-2215134-A2 REDUCTION OF THE FORMATION OF BIOFILM BY MEANS OF MULTIFUNCTIONAL COPOLYMERS Henkel AG & Co. KGaA (DE) 2010-08-11 EP disclosed
WO-2009071451-A2 REDUCTION OF THE FORMATION OF BIOFILM BY MEANS OF MULTIFUNCTIONAL COPOLYMERS HENKEL AG & CO. KGAA (DE) 2009-06-11 WO disclosed