SCHEMBL6556953

SCHEMBL6556953

C=C(C)C(=O)OCCc1ccc2cccc(C(=O)O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
TBXAS1 P24557 1/20 0.37
PTPN1 P18031 2/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
THRB P10828 1/20 0.36
HCAR2 Q8TDS4 2/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
MTNR1A P48039 2/20 0.35

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
SCHEMBL6556950 0.93 POLB (0.45) POLBAPEX1HTTTDP1NR4A1
SCHEMBL6554766 0.88 NR4A1 (0.43) POLBAPEX1HTTTDP1NR4A1
SCHEMBL5266032 0.80 CYP1A2 (0.48) POLBAPEX1HTTTDP1CYP1A2
SCHEMBL5174032 0.80 POLB (0.45) POLBAPEX1HTTTDP1PPARG
SCHEMBL18194861 0.79 THRB (0.44) POLBAPEX1HTTTDP1CYP1A2
SCHEMBL6280134 0.78 WDR5 (0.44) POLBAPEX1HTTTDP1NR4A1
SCHEMBL1535476 0.77 TDP1 (0.47) POLBAPEX1HTTTDP1THRB
SCHEMBL11963930 0.77 HTT (0.42) POLBAPEX1HTTTDP1NR4A1
Phthalic Acid SCHEMBL4599263 0.77 TDP1 (0.51) POLBAPEX1HTTTDP1THRB
SCHEMBL28186333 0.76 APP (0.46) POLBAPEX1HTTTDP1THRB

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
EP-0843184-B1 Ocular lens material MENICON CO LTD (JP) 2004-03-03 EP disclosed
US-5811502-A CONTAINING COPOLYMERS OF METHACRYLIC ESTERS AND HAVING OXYGEN PERMEABILITY, SUFFICIENT HARDNESS AND WETTABILITY MENICON CO., LTD. (JP) 1998-09-22 US disclosed
EP-0843184-A2 Ocular lens material Menicon Co., Ltd. (JP) 1998-05-20 EP disclosed