SCHEMBL4642011

SCHEMBL4642011

[CH2]CC(=O)C(=O)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
GRM5 P41594 4/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SLC1A1 P43005 1/20 0.41
CSNK1D P48730 1/20 0.40

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
SCHEMBL7272116 0.82 TSHR (0.56) TSHRGRM5ALDH1A1NPC1RAB9A
SCHEMBL4645447 0.81 TSHR (0.50) TSHRGRM5ALDH1A1NPC1RAB9A
SCHEMBL7720076 0.80 TSHR (0.58) TSHRGRM5ALDH1A1NPC1RAB9A
SCHEMBL27620037 0.80 TSHR (0.48) TSHRGRM5ALDH1A1NPC1RAB9A
SCHEMBL4644792 0.79 TSHR (0.47) TSHRGRM5ALDH1A1NPC1RAB9A
SCHEMBL4644597 0.79 TSHR (0.47) TSHRGRM5ALDH1A1NPC1RAB9A
SCHEMBL27461846 0.79 TSHR (0.56) TSHRGRM5ALDH1A1NPC1RAB9A
Formaldehyde SCHEMBL8658362 0.79 TSHR (0.56) TSHRGRM5ALDH1A1NPC1RAB9A
SCHEMBL476827 0.78 TSHR (0.61) TSHRGRM5ALDH1A1NPC1RAB9A
SCHEMBL231282 0.78 TSHR (0.61) TSHRGRM5ALDH1A1NPC1RAB9A

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