SCHEMBL5048248

SCHEMBL5048248

CC(Oc1ccc(OCCC(=O)O)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.62
CYP1A2 P05177 1/20 0.56
GAA P10253 1/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 1/20 0.56
CYP2C19 P33261 1/20 0.56
TDP1 Q9NUW8 2/20 0.51
PPARG P37231 3/20 0.50
PPARA Q07869 3/20 0.50
MMP2 P08253 1/20 0.50
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.45
MCL1 Q07820 1/20 0.45
TBXAS1 P24557 1/20 0.45
LTA4H P09960 1/20 0.44
TSHR P16473 1/20 0.44
FFAR1 O14842 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL27637482 0.94 CYP1A2 (0.57) L3MBTL1CYP1A2GAACYP2C9PKM
SCHEMBL5727625 0.83 CYP1A2 (0.56) L3MBTL1CYP1A2GAACYP2C9PKM
SCHEMBL2712703 0.83 PPARA (0.55) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL90067 0.82 TP53 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL4262556 0.82 CYP1A2 (0.77) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL5600220 0.81 CYP2C9 (0.61) L3MBTL1CYP1A2GAACYP2C9PKM
SCHEMBL809955 0.78 PPARA (0.52) L3MBTL1GAAPPARGPPARAFFAR1
SCHEMBL8881964 0.78 RARB (0.62) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL31644492 0.77 PPARA (0.49) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL1806524 0.77 L3MBTL1 (1.00) L3MBTL1MMP2LMNAMCL1TSHR

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-1951260-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM Bezwada Biomedical LLC (US) 2008-08-06 EP disclosed
WO-2007053794-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-05-10 WO disclosed