SCHEMBL27601540

SCHEMBL27601540

C=CC(=O)OC(=O)/C(C)=C\C(=O)OCCC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.49
HPGD P15428 1/20 0.49
HCAR2 Q8TDS4 3/20 0.41
ALDH1A1 P00352 4/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 3/20 0.38
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL28137783 0.90 TSHR (0.64) TSHRHPGDHCAR2ALDH1A1TP53
SCHEMBL27660489 0.87 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27544153 0.86 NPSR1 (0.48) TSHRHPGDHCAR2ALDH1A1TP53
SCHEMBL29374091 0.82 HCAR2 (0.48) TSHRHPGDHCAR2ALDH1A1THRB
SCHEMBL20530243 0.82 HCAR2 (0.48) TSHRHPGDHCAR2ALDH1A1THRB
SCHEMBL27864576 0.80 ALDH1A1 (0.36) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29109728 0.79 HCAR2 (0.46) TSHRHPGDHCAR2ALDH1A1ATM
SCHEMBL30074662 0.78 TSHR (0.75) TSHRHPGDHCAR2ALDH1A1TP53
SCHEMBL14982 0.78
SCHEMBL17714038 0.77 TSHR (0.42) TSHRHPGDHCAR2ALDH1A1THRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107429078-B Colored resin composition, color filter, and image display device 三菱化学株式会社 2019-10-15 CN disclosed
CN-109153840-A Polymer-containing composition and antifouling coating composition 三菱化学株式会社 2019-01-04 CN disclosed
CN-106489100-A Photosensitive resin composition, cured product, black matrix, and image display device 三菱化学株式会社 2017-03-08 CN disclosed
CN-106459695-A Transparent adhesive sheet 三菱树脂株式会社 2017-02-22 CN disclosed
CN-100377182-C Thermoreversible recording medium, thermoreversible recording label, thermoreversible recording member, image processing unit and method of image processing RICOH KK (JP) 2008-03-26 CN disclosed
CN-1659042-A Thermoreversible recording medium, thermoreversible recording mark, thermoreversible recording member, image processing apparatus, and image processing method RICOH KK (JP) 2005-08-24 CN disclosed