SCHEMBL85977

SCHEMBL85977

C=CC(=O)OCCC1=CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 2/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
THRB P10828 1/20 0.43
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL301811 0.84 GSTP1 (0.40) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14258797 0.83 TAAR1 (0.38) ALDH1A1TAAR1KMT2ASMN1; SMN2NPC1
Acrylic Acid SCHEMBL18169554 0.80 TAAR1 (0.43) ALDH1A1TAAR1THRBKMT2ASMN1; SMN2
SCHEMBL38666286 0.79 TAAR1 (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11373811 0.79 SMN1; SMN2 (0.46) ALDH1A1HSD17B10TAAR1SMN1; SMN2NPC1
SCHEMBL6379769 0.78 THRB (0.37) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid Methyl Ester SCHEMBL7196733 0.78 RAB9A (0.40) ALDH1A1HSD17B10TAAR1KMT2ASMN1; SMN2
Acrylic Acid Methyl Ester SCHEMBL30093668 0.77 RAB9A (0.39) ALDH1A1HSD17B10TAAR1KMT2ASMN1; SMN2
SCHEMBL674080 0.76 ALDH1A1 (0.53) TSHRALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL3671930 0.75 THRB (0.50) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8128746-B2 polymerization initiator, an acrylate monomer having a double bond with a carbon atom having an sp3 hybrid orbital at an alpha position, and a colorant; strength, adhesion to paper; UV radiation curing FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8128746-B2 polymerization initiator, an acrylate monomer having a double bond with a carbon atom having an sp3 hybrid orbital at an alpha position, and a colorant; strength, adhesion to paper; UV radiation curing FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
EP-2169020-A1 Ink composition, ink jet recording method, method for producing planographic printing plate, and planographic printing plate FUJIFILM Corporation (JP) 2010-03-31 EP disclosed
US-20080108747-A1 Ink composition, ink jet recording method, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2008-05-08 US disclosed
US-20080108747-A1 Ink composition, ink jet recording method, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2008-05-08 US disclosed