SCHEMBL14938437

SCHEMBL14938437

C=Cc1ccc(C=C(C)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.67
ALDH1A1 P00352 4/20 0.46
TBXAS1 P24557 5/20 0.45
HTT P42858 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
APEX1 P27695 2/20 0.39
TP53 P04637 1/20 0.38

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
Styrene SCHEMBL1628243 0.92 AKR1C3 (0.81) AKR1C3ALDH1A1TBXAS1HTTTSHR
SCHEMBL2462984 0.89 AKR1C3 (0.82) AKR1C3ALDH1A1TBXAS1HTTTDP1
SCHEMBL2462983 0.89 AKR1C3 (0.82) AKR1C3ALDH1A1TBXAS1HTTTDP1
SCHEMBL4865259 0.85 ALDH1A1 (0.48) AKR1C3ALDH1A1TBXAS1HTTTDP1
SCHEMBL28948868 0.83 AKR1C3 (0.67) AKR1C3ALDH1A1TBXAS1HTTTDP1
SCHEMBL2732933 0.83 AKR1C3 (0.72) AKR1C3ALDH1A1TBXAS1HTTTDP1
SCHEMBL3414243 0.83 AKR1C3 (0.72) AKR1C3ALDH1A1TBXAS1HTTTDP1
Acrylic Acid SCHEMBL31323196 0.81 AKR1C3 (0.58) AKR1C3ALDH1A1TBXAS1HTTKDM4E
SCHEMBL28058200 0.81 AKR1C3 (0.58) AKR1C3ALDH1A1TBXAS1HTTTDP1
SCHEMBL2406192 0.81 AKR1C3 (0.69) AKR1C3ALDH1A1TBXAS1HTTTDP1

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
CN-104704018-A Core shell rubber modified solid epoxy resins DOW GLOBAL TECHNOLOGIES INC 2015-06-10 CN disclosed
EP-2833926-A1 NEUROPHILIC NANOPARTICLES University of Florida Research Foundation, Inc. (US) 2015-02-11 EP disclosed
WO-2013151650-A1 NEUROPHILIC NANOPARTICLES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-10-10 WO disclosed
WO-2013069018-A2 OCULAR IMPLANT WITH INTRAOCULAR FLUID PRESSURE REGULATION OPR GROUP LTD. (KY) 2013-05-16 WO disclosed