SCHEMBL7816031

SCHEMBL7816031

CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CO)CC1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
DRD2 P14416 2/20 0.50
ACACB O00763 9/20 0.49
ACACA Q13085 5/20 0.47
TDP1 Q9NUW8 1/20 0.45
EPHX1 P07099 1/20 0.44
NR1H2 P55055 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL3945277 1.00 KMT2A (0.51) KMT2ADRD2ACACBACACATDP1
SCHEMBL1491414 1.00 KMT2A (0.51) KMT2ADRD2ACACBACACATDP1
SCHEMBL3942686 0.93 KMT2A (0.56) KMT2ADRD2ACACBACACATDP1
SCHEMBL4377073 0.93 KMT2A (0.56) KMT2ADRD2ACACBACACATDP1
SCHEMBL190838 0.93 KMT2A (0.56) KMT2ADRD2ACACBACACATDP1
SCHEMBL3816616 0.93 KMT2A (0.56) KMT2ADRD2ACACBACACATDP1
Formaldehyde SCHEMBL28082239 0.89 KMT2A (0.54) KMT2ADRD2ACACBACACATDP1
Bicarbonate SCHEMBL1580718 0.89 KMT2A (0.57) KMT2ADRD2ACACBACACAEPHX1
SCHEMBL7817062 0.88 ACACB (0.51) KMT2ADRD2ACACBACACATDP1
SCHEMBL7817058 0.88 ACACB (0.51) KMT2ADRD2ACACBACACATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
EP-0798298-B1 THIAZOLIDINONE OR OXAZOLIDINONE DERIVATIVES TO TREAT ANGINA PECTORIS OR COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENT SANKYO CO (JP) 2001-08-08 EP disclosed
US-5843973-A Thiazolidinone compounds and composition for angina pectoris comprising the compounds as an active ingredient SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
EP-0798298-A1 THIAZOLIDINONE COMPOUNDS OR ANGINA PECTORIS REMEDY OR PREVENTIVE CONTAINING THE SAME AS ACTIVE INGREDIENT SANKYO COMPANY LIMITED (JP) 1997-10-01 EP disclosed