SCHEMBL13781382

SCHEMBL13781382

CNC[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ EPHX1 P07099 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ ACACB O00763 5/20 0.40
▸ CTSS P25774 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ ACACA Q13085 3/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13579957 1.00 KMT2A (0.44) KMT2AEPHX1BTKDRD2ACACB
SCHEMBL6647123 0.94 EPHX1 (0.48) KMT2AEPHX1BTKDRD2ACACB
SCHEMBL7817045 0.88 EPHX1 (0.43) KMT2AEPHX1BTKDRD2ACACB
SCHEMBL14548191 0.88 EPHX1 (0.43) KMT2AEPHX1BTKDRD2ACACB
SCHEMBL228180 0.87 EPHX1 (0.50) KMT2AEPHX1BTKDRD2ACACB
SCHEMBL6617889 0.87 CYP2D6 (0.43) KMT2AEPHX1BTKDRD2ACACB
SCHEMBL7162104 0.87 CYP2D6 (0.43) KMT2AEPHX1BTKDRD2ACACB
SCHEMBL7158318 0.87 CYP2D6 (0.43) KMT2AEPHX1BTKDRD2ACACB
SCHEMBL7161245 0.87 CYP2D6 (0.43) KMT2AEPHX1BTKDRD2ACACB
SCHEMBL7162108 0.87 CYP2D6 (0.43) KMT2AEPHX1BTKDRD2ACACB

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
US-7566734-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-07-28 — — US disclosed
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