SCHEMBL7969816

SCHEMBL7969816

CCCCOC(=O)C(Br)CCCCBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 2/20 0.56
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
ALDH1A1 P00352 1/20 0.44
ATM Q13315 2/20 0.41
TSHR P16473 5/20 0.39
HPGD P15428 1/20 0.39
ESR1 P03372 5/20 0.38
FAAH O00519 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 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
SCHEMBL7976159 0.95 ZDHHC7 (0.53) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL7973459 0.93 ZDHHC7 (0.62) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL1415492 0.93 ZDHHC7 (0.63) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL29010105 0.89 ZDHHC7 (0.70) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL7064275 0.89 ZDHHC7 (0.50) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL1415620 0.89 ZDHHC7 (0.58) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL8056492 0.89 ZDHHC7 (0.58) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL7959961 0.88 ZDHHC7 (0.59) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL1415328 0.87 ZDHHC7 (0.55) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL18831841 0.85 ZDHHC7 (0.70) ZDHHC7LCKPPARDZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172234-B1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-09 US disclosed
EP-0976729-A1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed