SCHEMBL4647801

SCHEMBL4647801

COC(=O)/C=C\C(=O)OCCCC(=O)OC(=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.46
ALOX5 P09917 2/20 0.42
AKR1B10 O60218 6/20 0.41
AKR1B1 P15121 6/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PAM P19021 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.39
TTR P02766 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAOB P27338 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
SCHEMBL4644589 1.00 HCAR2 (0.46) HCAR2ALOX5AKR1B10AKR1B1ALDH1A1
SCHEMBL4644581 1.00 HCAR2 (0.46) HCAR2ALOX5AKR1B10AKR1B1ALDH1A1
SCHEMBL4641588 0.96 HCAR2 (0.45) HCAR2ALOX5AKR1B10AKR1B1ALDH1A1
SCHEMBL4641919 0.96 HCAR2 (0.45) HCAR2ALOX5AKR1B10AKR1B1ALDH1A1
SCHEMBL4641576 0.96 HCAR2 (0.45) HCAR2ALOX5AKR1B10AKR1B1ALDH1A1
SCHEMBL4648063 0.92 HCAR2 (0.48) HCAR2ALOX5AKR1B10AKR1B1ALDH1A1
SCHEMBL4645111 0.92 HCAR2 (0.48) HCAR2ALOX5AKR1B10AKR1B1ALDH1A1
SCHEMBL4645129 0.92 HCAR2 (0.48) HCAR2ALOX5AKR1B10AKR1B1ALDH1A1
SCHEMBL4642735 0.90 MAPT (0.48) HCAR2ALOX5AKR1B10AKR1B1ALDH1A1
SCHEMBL4642051 0.90 HCAR2 (0.52) HCAR2ALOX5AKR1B10AKR1B1KDM4E

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