SCHEMBL9621846

SCHEMBL9621846

CCOC(=O)CCCCN1C(=O)NC(=O)C(CC)(c2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.55
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.50
TNF P01375 2/20 0.42
FAAH O00519 2/20 0.41
MITF O75030 2/20 0.40
MEN1 O00255 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
NAMPT P43490 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL9622341 0.87 CYP2C19 (0.61) CYP2C19LMNAKMT2AFAAHMEN1
SCHEMBL7045940 0.87 CYP2C19 (0.61) CYP2C19LMNAKMT2AFAAHMEN1
SCHEMBL8749863 0.87 CYP2C19 (0.61) CYP2C19LMNAKMT2AFAAHMEN1
SCHEMBL7776762 0.85 CYP2C19 (0.62) CYP2C19LMNAKMT2AFAAHMEN1
SCHEMBL8838995 0.83 CYP2C19 (0.62) CYP2C19LMNAKMT2AFAAHMEN1
SCHEMBL7799794 0.83 CYP2C19 (0.62) CYP2C19LMNAKMT2AFAAHMEN1
SCHEMBL7769149 0.82 CYP2C19 (0.47) CYP2C19LMNAKMT2AFAAH
SCHEMBL9507072 0.81 CYP2C19 (0.65) CYP2C19LMNAKMT2AMEN1MMP2
SCHEMBL7776791 0.80 CYP2C19 (0.52) CYP2C19LMNAKMT2AGAAALDH1A1
SCHEMBL7775183 0.79 CYP2C19 (0.51) CYP2C19LMNAKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212989-B1 LIPID VESICLES CONTAINING LABELED SPECIES AND THEIR ANALYTICAL USES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-02-19 EP disclosed
US-4752572-A Lipid vesicles containing labeled species and their analytical uses EASTMAN KODAK COMPANY (US) 1988-06-21 US disclosed
EP-0212989-A2 Lipid vesicles containing labeled species and their analytical uses EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1987-03-04 EP disclosed