SCHEMBL4644597

SCHEMBL4644597

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM5 P41594 4/20 0.43
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PAM P19021 1/20 0.40
AKR1B1 P15121 1/20 0.39
CSNK1D P48730 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PTPRC P08575 1/20 0.39
PTPN1 P18031 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
SCHEMBL11632800 0.91 TSHR (0.56) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL4646689 0.87 TSHR (0.44) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL9422962 0.84 TSHR (0.48) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL4643563 0.84 TSHR (0.48) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL4642506 0.84 TSHR (0.41) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL4643567 0.81 ALDH1A1 (0.56) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL4588282 0.80 TSHR (0.52) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL4642011 0.79 TSHR (0.50) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL5267255 0.79 TSHR (0.50) TSHRALDH1A1MAPK1L3MBTL1GRM5
SCHEMBL4641557 0.78 AKR1B1 (0.56) TSHRALDH1A1MAPK1L3MBTL1KMT2A

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