SCHEMBL9911975

SCHEMBL9911975

CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](N)CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
KMT2A Q03164 1/20 0.56
NEU1 Q99519 1/20 0.47

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
SCHEMBL12731824 0.84 MEN1 (0.49) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL15259238 0.84 MEN1 (0.62) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL8522763 0.84 MEN1 (0.62) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL2828107 0.84 MEN1 (0.62) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL12872270 0.84 MEN1 (0.62) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL15374789 0.83 MEN1 (0.61) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL125997 0.83 MEN1 (0.61) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL12820864 0.81 MEN1 (0.57) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL12708803 0.80 MEN1 (0.58) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL15986522 0.79 MEN1 (0.57) MEN1LMNACYP3A4KMT2ANEU1

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
WO-2012050645-A9 PATHOGEN DETECTION PURDUE RESEARCH FOUNDATION (US) 2012-06-07 WO disclosed
WO-2012050645-A2 PATHOGEN DETECTION PURDUE RESEARCH FOUNDATION (US) 2012-04-19 WO disclosed