SCHEMBL8845865

SCHEMBL8845865

C=CC(=O)OCc1ccco1.C=CCOC(=O)C(=C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
POLB P06746 5/20 0.42
LMNA P02545 4/20 0.40
TDP1 Q9NUW8 5/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
APEX1 P27695 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SLC1A3 P43003 1/20 0.34

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
SCHEMBL397704 0.84 ALDH1A1 (0.62) ALDH1A1POLBLMNATDP1MAPK1
Ethylene SCHEMBL27589410 0.83 ALDH1A1 (0.60) ALDH1A1POLBLMNATDP1MAPK1
SCHEMBL28105501 0.83 ALDH1A1 (0.60) ALDH1A1POLBLMNATDP1MAPK1
SCHEMBL36525 0.83 ALDH1A1 (0.70) ALDH1A1POLBLMNATDP1MAPK1
SCHEMBL7174479 0.82 TSHR (0.50) ALDH1A1POLBLMNATDP1MAPK1
SCHEMBL28657462 0.81 ALDH1A1 (0.68) ALDH1A1POLBLMNATDP1MAPK1
SCHEMBL1701881 0.80 THRB (0.60) ALDH1A1POLBLMNATDP1MAPK1
SCHEMBL28311598 0.80 ALDH1A1 (0.47) ALDH1A1POLBLMNATDP1MAPK1
Methacrylic Acid SCHEMBL28728201 0.79 ALDH1A1 (0.64) ALDH1A1POLBLMNATDP1MAPK1
SCHEMBL18918951 0.78 ALDH1A1 (0.62) ALDH1A1POLBLMNATDP1MAPK1

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
EP-0755952-A2 Acrylic copolymer elastomer, its blend rubber and blend rubber composition NIPPON MEKTRON, LTD. (JP) 1997-01-29 EP disclosed