SCHEMBL9739790

SCHEMBL9739790

C=C(C)C(=O)OCCc1ccccc1.C=C(C)C(=O)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.54
TDP1 Q9NUW8 3/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
KMT2A Q03164 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
THRB P10828 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL42893 0.91 HCAR2 (0.51) TDP1POLBAPEX1HTTHCAR2
Methane SCHEMBL4468486 0.89 HCAR2 (0.50) TDP1POLBAPEX1HTTHCAR2
Methacrylic Acid SCHEMBL8131805 0.88 HCAR2 (0.49) TDP1POLBAPEX1HTTHCAR2
SCHEMBL27973892 0.88 HCAR2 (0.49) TDP1POLBAPEX1HTTHCAR2
Ethylene Glycol SCHEMBL6490846 0.86 HCAR2 (0.47) TDP1POLBAPEX1HTTHCAR2
SCHEMBL31567594 0.85 FFAR1 (0.54) ELANETDP1POLBAPEX1HTT
SCHEMBL690155 0.85 ELANE (0.47) ELANETDP1POLBAPEX1HTT
SCHEMBL12092909 0.85 ELANE (0.47) ELANETDP1POLBAPEX1HTT
SCHEMBL24196277 0.85 ELANE (0.51) ELANETDP1POLBAPEX1HTT
SCHEMBL150510 0.85 LMNA (0.49) TDP1POLBAPEX1HTTHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153102-A Blend of acrylic copolymer, photopolymerizable monomer, melamine compound and free radical photoinitiator INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1992-10-06 US disclosed