SCHEMBL7852013

SCHEMBL7852013

C=C(C)C(=O)OCc1ccccc1.C=CC(=O)OCCCC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
HPGD P15428 1/20 0.55
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 1/20 0.53
THRB P10828 2/20 0.45
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TGM2 P21980 1/20 0.41
HCAR2 Q8TDS4 2/20 0.40
ATM Q13315 1/20 0.40
CETP P11597 3/20 0.39
MBOAT4 Q96T53 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
Propene SCHEMBL28187730 0.98 TSHR (0.52) TSHRHPGDALDH1A1TDP1L3MBTL1
SCHEMBL22207649 0.92 TSHR (0.51) TSHRHPGDALDH1A1TDP1L3MBTL1
SCHEMBL9638004 0.90 TSHR (0.57) TSHRHPGDALDH1A1TDP1L3MBTL1
SCHEMBL28268541 0.90 TSHR (0.57) TSHRHPGDALDH1A1TDP1L3MBTL1
Propene SCHEMBL28153646 0.90 TSHR (0.56) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL4170802 0.88 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1MAPK1THRB
SCHEMBL19066929 0.88 TSHR (0.52) TSHRHPGDALDH1A1TDP1L3MBTL1
Acrylic Acid Ethyl Ester SCHEMBL3690840 0.87 ALDH1A1 (0.49) ALDH1A1TDP1L3MBTL1MAPK1THRB
Methacrylic Acid SCHEMBL9128151 0.87 TSHR (0.51) TSHRHPGDALDH1A1TDP1L3MBTL1
Methacrylic Acid SCHEMBL8096653 0.86 TSHR (0.50) TSHRHPGDALDH1A1TDP1L3MBTL1

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
US-6239193-B1 NONIONIC POLYETHOXYLATED SURFACTANT, AND WHICH SURFACTANT POSSESSES AN HLB VALUE OF FROM ABOUT 16.5 TO ABOUT 21 XEROX CORPORATION 2001-05-29 US claimed
CN-104053739-B Reactive bi-component hot-melt adhesive composition 汉高股份有限及两合公司 2016-07-06 CN disclosed
US-6239193-B1 NONIONIC POLYETHOXYLATED SURFACTANT, AND WHICH SURFACTANT POSSESSES AN HLB VALUE OF FROM ABOUT 16.5 TO ABOUT 21 XEROX CORPORATION 2001-05-29 US disclosed