SCHEMBL5014634

SCHEMBL5014634

O=C(O)C1(C(=O)O)CCC(O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
FFAR3 O14843 1/20 0.33
EPHX2 P34913 1/20 0.33
GRM2 Q14416 3/20 0.32
GRM3 Q14832 3/20 0.32
GRM4 Q14833 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 2/20 0.32
MTOR P42345 2/20 0.32
GRM8 O00222 2/20 0.32
GRM6 O15303 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
PLCB1 Q9NQ66 1/20 0.32
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL4650803 0.80 CYP2D6 (0.35) TSHRFFAR3GRM2GRM3GRM4
SCHEMBL27788454 0.79 GRM4 (0.35) TSHRGRM2GRM3GRM4CYP2C19
SCHEMBL4353023 0.78 GRM2 (0.37) TSHRFFAR3GRM2GRM3GRM4
SCHEMBL3420703 0.76 CYP2C19 (0.38) TSHRFFAR3GRM2GRM3GRM4
SCHEMBL7036505 0.76 GRM2 (0.50) TSHRGRM2GRM3GRM4CYP2C19
SCHEMBL9397974 0.76 GRM2 (0.35) TSHRGRM2GRM3GRM4CYP2C19
SCHEMBL4264213 0.76 EPHX2 (0.32) TSHRFFAR3EPHX2GRM2GRM3
SCHEMBL3819279 0.76 EPHX2 (0.32) TSHRFFAR3EPHX2GRM2GRM3
SCHEMBL106415 0.75
SCHEMBL8641820 0.75 FFAR3 (0.44) FFAR3CYP2C19CYP2D6

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
WO-2015035446-A1 MACROMOLECULES OF DENDRIMER-PLATINUM CONJUGATES STARPHARMA PTY LTD (AU) 2015-03-19 WO disclosed
EP-1967520-A2 Production of polyketides and other natural products Biotica Technology Limited (GB) 2008-09-10 EP disclosed