SCHEMBL4645899

SCHEMBL4645899

[CH2]C(C(=O)OC(=O)Cc1ccccc1)C(=O)OC(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PAM P19021 1/20 0.55
TSHR P16473 1/20 0.53
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
AKR1B1 P15121 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MGLL Q99685 2/20 0.42
MEN1 O00255 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL4644762 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL248113 0.82 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL16439989 0.81 TSHR (0.68) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL535940 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL4414630 0.79 TSHR (0.59) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL22285867 0.79 MAPK1 (0.53) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL4642266 0.79 ALDH1A1 (0.57) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL27738415 0.78 MAPK1 (0.61) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL10921983 0.77 TSHR (0.57) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL15532005 0.77 SLC7A5 (0.58) ALDH1A1MAPK1L3MBTL1PAMTSHR

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