SCHEMBL27926596

SCHEMBL27926596

CCCCOC(=O)c1ccccc1.[CaH2]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.76
TDP1 Q9NUW8 3/20 0.75
TSHR P16473 6/20 0.69
MAPK1 P28482 3/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C19 P33261 2/20 0.69
ESR1 P03372 2/20 0.69
CYP2D6 P10635 1/20 0.69
NR1H2 P55055 1/20 0.69
RNASEL Q05823 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
L3MBTL1 Q9Y468 3/20 0.68
CYP3A4 P08684 3/20 0.67
CYP2C9 P11712 1/20 0.67
PDE4D Q08499 1/20 0.67
TP53 P04637 1/20 0.61
ALDH1A1 P00352 4/20 0.59
HPGD P15428 1/20 0.59
RECQL P46063 1/20 0.59
NPC1 O15118 1/20 0.58

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
SCHEMBL97514 0.98 LMNA (0.79) LMNATDP1TSHRMAPK1CYP1A2
SCHEMBL1869078 0.98 LMNA (0.79) LMNATDP1TSHRMAPK1CYP1A2
SCHEMBL28978386 0.98 LMNA (0.79) LMNATDP1TSHRMAPK1CYP1A2
SCHEMBL10877880 0.96 LMNA (0.76) LMNATDP1TSHRMAPK1CYP1A2
Potassium SCHEMBL34464611 0.96 LMNA (0.76) LMNATDP1TSHRMAPK1CYP1A2
SCHEMBL23175014 0.96 LMNA (0.76) LMNATDP1TSHRMAPK1CYP1A2
SCHEMBL7731869 0.96 LMNA (0.76) LMNATDP1TSHRMAPK1CYP1A2
SCHEMBL10547530 0.96 LMNA (0.76) LMNATDP1TSHRMAPK1CYP1A2
SCHEMBL28424730 0.96 LMNA (0.76) LMNATDP1TSHRMAPK1CYP1A2
Hydrochloric Acid SCHEMBL27576460 0.96 LMNA (0.76) LMNATDP1TSHRMAPK1CYP1A2

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
CN-103435941-A Novel PVC (Polyvinyl Chloride) heat stabilizer TIANJIN GATHER LEVITATION TECHNOLOGY CO LTD 2013-12-11 CN disclosed