SCHEMBL6216496

SCHEMBL6216496

CC(C)CCC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.60
▸ CCNB1 P14635 1/20 0.60
▸ LDHA P00338 1/20 0.46
▸ PRKD3 O94806 1/20 0.45
▸ PRKCG P05129 1/20 0.45
▸ PRKCB P05771 1/20 0.45
▸ PRKCA P17252 1/20 0.45
▸ PRKCH P24723 1/20 0.45
▸ PRKCI P41743 1/20 0.45
▸ PRKCE Q02156 1/20 0.45
▸ PRKCQ Q04759 1/20 0.45
▸ PRKCZ Q05513 1/20 0.45
▸ PRKCD Q05655 1/20 0.45
▸ PRKD1 Q15139 1/20 0.45
▸ EPHX2 P34913 4/20 0.43
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ TLR4 O00206 1/20 0.39
▸ ADORA1 P30542 1/20 0.35
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL3131927 0.90 CDK1 (0.69) CDK1CCNB1LDHAPRKD3PRKCG
SCHEMBL18027489 0.90 CDK1 (0.62) CDK1CCNB1LDHAPRKD3PRKCG
SCHEMBL7555980 0.90 CDK1 (0.62) CDK1CCNB1LDHAPRKD3PRKCG
SCHEMBL983823 0.89 CDK1 (0.64) CDK1CCNB1LDHAPRKD3PRKCG
SCHEMBL8649826 0.88 CDK1 (0.66) CDK1CCNB1LDHAPRKD3PRKCG
SCHEMBL9621810 0.88 CDK1 (0.66) CDK1CCNB1LDHAPRKD3PRKCG
SCHEMBL5705134 0.88 CDK1 (0.58) CDK1CCNB1LDHAPRKD3PRKCG
SCHEMBL6216491 0.88 CDK1 (0.51) CDK1CCNB1LDHAPRKD3PRKCG
SCHEMBL27385359 0.87 CDK1 (0.61) CDK1CCNB1LDHAPRKD3PRKCG
SCHEMBL27699682 0.86 CDK1 (0.64) CDK1CCNB1LDHAPRKD3PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1682693-A In site gel medicine transfer system for hardening treating angioma and vascular deformity UNIV SHENYANG PHARMACY (CN) 2005-10-19 — — CN claimed
JP-59210025-A — — None — — JP disclosed
JP-59210870-A — — None — — JP disclosed
CN-1684670-A Methods and dosage forms for controlled delivery of paliperidone ALZA CORP (US) 2005-10-19 — — CN disclosed
CN-1682693-A In site gel medicine transfer system for hardening treating angioma and vascular deformity UNIV SHENYANG PHARMACY (CN) 2005-10-19 — — CN disclosed
EP-0923317-B1 ENERGY DRINK GORDELADZE JAN OXHOLM (NO) 2005-03-09 — — EP disclosed
JP-S59210870-A SPORTS DRINK COMPOSITION TAIYO KAGAKU KK 1984-11-29 — — JP disclosed
JP-S59210025-A PRODUCTION OF EMULSIFIED COMPOSITION OF MEDIUM-CHAIN TRIGLYCERIDE TAIYO KAGAKU KK 1984-11-28 — — JP disclosed
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