SCHEMBL4644085

SCHEMBL4644085

COC(=O)C=CC(=O)OCC(=O)Oc1ccc(Br)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 7/20 0.40
MAPT P10636 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 2/20 0.40
JAK2 O60674 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4645491 1.00 PTGDR2 (0.50) PTGDR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4644074 1.00 PTGDR2 (0.50) PTGDR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4641447 0.90 PTGDR2 (0.50) PTGDR2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL4641451 0.90 PTGDR2 (0.50) PTGDR2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL4643572 0.90 PTGDR2 (0.50) PTGDR2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL4645845 0.86 PTGDR2 (0.43) PTGDR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4644115 0.86 PTGDR2 (0.43) PTGDR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4642256 0.83 PTGDR2 (0.47) PTGDR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4646573 0.83 PTGDR2 (0.47) PTGDR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4642265 0.83 PTGDR2 (0.47) PTGDR2KDM4EALDH1A1MAPTSMN1; SMN2

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed