SCHEMBL5446367

SCHEMBL5446367

CCc1ccc(OC(=O)OC)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ACACB O00763 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
EPHX2 P34913 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
NLRP1 Q9C000 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 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
SCHEMBL18156236 0.80 PARP10 (0.45) GAAALDH1A1KDM4EL3MBTL1NR4A2
SCHEMBL8340513 0.78 SLC6A4 (0.47) ALDH1A1KDM4EHTR2ASLC6A4KCNH2
SCHEMBL18182509 0.78 MAOA (0.41) NR1H4NR4A2MAOAMAOB
SCHEMBL18182491 0.78 MAOA (0.41) NR1H4NR4A2MAOAMAOB
Ammonia Solution, Strong SCHEMBL27347505 0.77 SLC6A4 (0.46) ALDH1A1KDM4EHTR2ASLC6A4KCNH2
SCHEMBL18156088 0.76 PPARD (0.40) GAAALDH1A1LMNAKDM4ENR1H4
SCHEMBL18182494 0.76 HDAC8 (0.41) GAAALDH1A1NR1H4L3MBTL1NR4A2
SCHEMBL17355765 0.76 MCL1 (0.54) GAAALDH1A1KDM4EL3MBTL1HTT
SCHEMBL18182493 0.75 MAOA (0.40) NR1H4NR4A2KMT2AMAPTMEN1
SCHEMBL18182492 0.75 MAOA (0.44) ALDH1A1LMNANR1H4MAOAMAOB

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-20070027033-A1 Anti-germination method of tubers or bulbs using eugenol and/or isoeugenol XEDA INTERNATIONAL (FR) 2007-02-01 US disclosed