SCHEMBL69192

SCHEMBL69192

C=CC(=O)OCC(O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
TSHR P16473 1/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TGM2 P21980 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL24571152 0.85 TSHR (0.44) THRBTSHRKMT2AMEN1ALDH1A1
SCHEMBL28907211 0.85 THRB (0.50) THRBHCAR2TSHRSLC1A3SLC1A2
SCHEMBL29071644 0.84 TSHR (0.53) THRBHCAR2TSHRSLC1A3SLC1A2
SCHEMBL8191319 0.81 CA1 (0.54) THRBHCAR2TSHRSLC1A1CYP1A2
SCHEMBL28230354 0.80 HCAR2 (0.65) THRBHCAR2KMT2ALMNAALDH1A1
Benzene SCHEMBL28307095 0.80 HCAR2 (0.65) THRBHCAR2KMT2ALMNAALDH1A1
SCHEMBL34054 0.80 HCAR2 (0.65) THRBHCAR2KMT2ALMNAALDH1A1
Ammonia Solution, Strong SCHEMBL11584311 0.79 HCAR2 (0.62) THRBHCAR2KMT2ALMNAALDH1A1
Bicarbonate SCHEMBL3955752 0.79 HCAR2 (0.62) THRBHCAR2KMT2ALMNAALDH1A1
Ethylene SCHEMBL6402744 0.79 HCAR2 (0.62) THRBHCAR2KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8128843-B2 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8128843-B2 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20090186163-A1 PHOTOCURABLE COMPOSITION, PHOTOCURABLE INK COMPOSITION, PROCESS FOR PRODUCING PHOTOCURED MATERIAL, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-07-23 US disclosed
US-20090186163-A1 PHOTOCURABLE COMPOSITION, PHOTOCURABLE INK COMPOSITION, PROCESS FOR PRODUCING PHOTOCURED MATERIAL, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-07-23 US disclosed