SCHEMBL7817045

SCHEMBL7817045

CC(C)(C)OC(=O)NCC1CCCC(CO)C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ACACB O00763 5/20 0.40
▸ NR1H2 P55055 1/20 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
▸ 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
SCHEMBL6647123 0.94 EPHX1 (0.48) EPHX1BTKKMT2ADRD2TDP1
SCHEMBL13781382 0.88 KMT2A (0.44) EPHX1BTKKMT2ADRD2TDP1
SCHEMBL13579957 0.88 KMT2A (0.44) EPHX1BTKKMT2ADRD2TDP1
SCHEMBL14548191 0.88 EPHX1 (0.43) EPHX1BTKKMT2ADRD2TDP1
SCHEMBL228180 0.87 EPHX1 (0.50) EPHX1BTKKMT2ADRD2TDP1
SCHEMBL7158318 0.87 CYP2D6 (0.43) EPHX1BTKKMT2ADRD2ACACB
SCHEMBL7161245 0.87 CYP2D6 (0.43) EPHX1BTKKMT2ADRD2ACACB
SCHEMBL7162108 0.87 CYP2D6 (0.43) EPHX1BTKKMT2ADRD2ACACB
SCHEMBL7162104 0.87 CYP2D6 (0.43) EPHX1BTKKMT2ADRD2ACACB
SCHEMBL6617889 0.87 CYP2D6 (0.43) EPHX1BTKKMT2ADRD2ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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