SCHEMBL4643328

SCHEMBL4643328

CCOC(=O)C=CC(=O)OCCCC(O)C(=O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
MAPT P10636 6/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
THRB P10828 1/20 0.46
MDM2 Q00987 2/20 0.44
MDM4 O15151 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.41
HCAR2 Q8TDS4 5/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4647853 0.92 MAPT (0.48) TDP1MAPTLMNAALDH1A1THRB
SCHEMBL4641508 0.90 ZDHHC2 (0.41) TDP1MAPTLMNAALDH1A1THRB
SCHEMBL4642181 0.82 ADRB2 (0.42) TDP1MAPTLMNAALDH1A1THRB
SCHEMBL8916104 0.80 MAPT (0.60) MAPTLMNAALDH1A1THRBMDM2
SCHEMBL8916114 0.80 MAPT (0.60) MAPTLMNAALDH1A1THRBMDM2
SCHEMBL4642253 0.79 CYP3A4 (0.43) TDP1MAPTLMNAALDH1A1THRB
SCHEMBL27676784 0.79 TDP1 (0.45) TDP1ALDH1A1ZDHHC2ATML3MBTL1
SCHEMBL7941063 0.79 TDP1 (0.45) TDP1ALDH1A1ZDHHC2ATML3MBTL1
SCHEMBL9674085 0.78 GPR84 (0.49) TDP1ALDH1A1ZDHHC2ATML3MBTL1
SCHEMBL18355458 0.77 ZDHHC2 (0.53) MAPTLMNAALDH1A1THRBZDHHC2

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