SCHEMBL28012006

SCHEMBL28012006

CC(C)C1(C)CCCC(OC(=O)C[C@@H](C)O)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
NAAA Q02083 2/20 0.32
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP19A1 P11511 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
SCHEMBL16457292 1.00 CYP2C19 (0.38) CYP2C19NAAAHTTMEN1LMNA
SCHEMBL612164 1.00 CYP2C19 (0.38) CYP2C19NAAAHTTMEN1LMNA
SCHEMBL4630115 0.86 CACNA1B (0.30)
SCHEMBL613730 0.86 NAAA (0.36) CYP2C19NAAA
SCHEMBL11408977 0.84 CYP2C19 (0.36) CYP2C19NAAAHTT
SCHEMBL698620 0.83 CYP2C19 (0.35) CYP2C19NAAAHTT
SCHEMBL18825657 0.82 NAAA (0.37) CYP2C19NAAALMNA
SCHEMBL4063062 0.82 EPHX1 (0.32) CYP2C19
SCHEMBL614025 0.81 CYP19A1 (0.33) CYP2C19CYP19A1
SCHEMBL118102 0.80 CYP3A4 (0.35) CYP2C19KMT2A

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
CN-104684412-A Powdery refreshing agent composition OGAWA & CO LTD 2015-06-03 CN disclosed