SCHEMBL4645600

SCHEMBL4645600

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
PAM P19021 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41
AKR1B1 P15121 1/20 0.41
KMT2A Q03164 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CTBP2 P56545 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
SCHEMBL4645782 0.84 TSHR (0.45) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL4642466 0.83 TSHR (0.50) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL4647864 0.83 ALDH1A1 (0.52) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL4643820 0.80 L3MBTL1 (0.49) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL6261030 0.80 TSHR (0.53) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL27139938 0.77 TSHR (0.58) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL248113 0.76 ALDH1A1 (0.65) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL9945858 0.76 CES1 (0.58) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL6628783 0.74 TSHR (0.55) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL11606595 0.73 ALDH1A1 (0.49) TSHRALDH1A1L3MBTL1MAPK1PAM

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