SCHEMBL1755549

SCHEMBL1755549

C=C(C)C(=O)OCC(=O)CCCC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
THRB P10828 1/20 0.44
CES1 P23141 2/20 0.39
CES2 O00748 2/20 0.38
ALDH1A1 P00352 5/20 0.38
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PAM P19021 2/20 0.35
CA1 P00915 1/20 0.34
DGKA P23743 1/20 0.34
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1755519 0.94 TSHR (0.59) TSHRTHRBCES1CES2ALDH1A1
SCHEMBL1755518 0.93 TSHR (0.62) TSHRTHRBCES1CES2ALDH1A1
SCHEMBL1755557 0.88 TSHR (0.50) TSHRTHRBCES1CES2ALDH1A1
SCHEMBL7603556 0.85 TSHR (0.56) TSHRTHRBCES1CES2ALDH1A1
SCHEMBL12705842 0.81 TSHR (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL27502175 0.81 THRB (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL31197399 0.79 ALDH1A1 (0.54) CES1CES2ALDH1A1TP53MAPT
SCHEMBL1389356 0.79 THRB (0.50) TSHRTHRBALDH1A1MAPTPOLB
SCHEMBL17339986 0.79 TSHR (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL25412943 0.78 TSHR (0.49) TSHRTHRBCES1CES2ALDH1A1

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-2441809-A1 ANTIFOULING COATING COMPOSITION, ANTIFOULING COATING FILM FORMED FROM THE COMPOSITION, COATED OBJECT HAVING THE COATING FILM ON SURFACE, AND METHOD OF ANTIFOULING TREATMENT BY FORMING THE COATING FILM Nitto Kasei Co., Ltd. (JP) 2012-04-18 EP disclosed
US-20120010342-A1 ANTIFOULING COATING COMPOSITION, ANTIFOULING COATING FILM FORMED BY USE OF THE COMPOSITION, COATED OBJECT HAVING THE COATING FILM THEREON, AND METHOD OF ANTIFOULING TREATMENT BY FORMING THE COATING FILM NITTO KASEI CO., LTD. (JP) 2012-01-12 US disclosed
US-20120010342-A1 ANTIFOULING COATING COMPOSITION, ANTIFOULING COATING FILM FORMED BY USE OF THE COMPOSITION, COATED OBJECT HAVING THE COATING FILM THEREON, AND METHOD OF ANTIFOULING TREATMENT BY FORMING THE COATING FILM NITTO KASEI CO., LTD. (JP) 2012-01-12 US disclosed