SCHEMBL8374040

SCHEMBL8374040

CC1(C)CC(OC(=O)CCN(CCC(=O)OC2CC(C)(C)NC(C)(C)C2)C2CCCCC2)CC(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
NAAA Q02083 2/20 0.38
NPC1L1 Q9UHC9 1/20 0.35
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8374044 0.89 GAA (0.39) GAANAAANPC1L1CYP2C19HTT
SCHEMBL21132254 0.89 GAA (0.42) GAANAAANPC1L1
SCHEMBL8949180 0.87 GAA (0.41) GAANPC1L1SMN1; SMN2
SCHEMBL8376023 0.86 GAA (0.40) GAANAAANPC1L1CYP2C19HTT
SCHEMBL8534147 0.85 NAAA (0.47) GAANAAANPC1L1CYP2C19HTT
SCHEMBL8949259 0.84 GAA (0.39) GAANAAA
SCHEMBL8375051 0.83 NAAA (0.38) GAANAAACYP2C19HTTSMN1; SMN2
SCHEMBL9617630 0.81 GAA (0.45) GAANAAANPC1L1
SCHEMBL8377512 0.81 NAAA (0.36) NAAACYP2C19HTTSMN1; SMN2ALDH1A1
SCHEMBL10349500 0.80 GAA (0.44) GAANAAANPC1L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5178830-A None JP disclosed
EP-0550001-B1 Cyclohexylamine derivatives MITSUBISHI CHEM CORP (JP) 1999-03-17 EP disclosed
US-5294719-A Photostability MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1994-03-15 US disclosed
JP-H05178830-A CYCLOHEXYLAMINE DERIVATIVE MITSUBISHI PETROCHEM CO LTD 1993-07-20 JP disclosed
EP-0550001-A1 Cyclohexylamine derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 1993-07-07 EP disclosed