SCHEMBL8494420

SCHEMBL8494420

CCCCCC1=NOC(C(=O)OC)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.46
▸ MIF P14174 3/20 0.45
▸ HTT P42858 2/20 0.42
▸ DNTT P04053 3/20 0.37
▸ POLA1 P09884 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRA P10827 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL20645845 0.89 MIF (0.48) F10MIFHTTSMN1; SMN2LMNA
SCHEMBL20645838 0.83 MIF (0.50) MIFHTTPOLBLMNARAB9A
SCHEMBL20640879 0.79 MIF (0.40) F10MIFHTT
SCHEMBL10758499 0.76 MIF (0.42) MIFHTT
SCHEMBL20640544 0.76 MIF (0.50) MIFHTTPOLBLMNATSHR
SCHEMBL25438280 0.72 PSMB5 (0.43) F10
SCHEMBL25438284 0.72 PSMB5 (0.43) F10
SCHEMBL12460807 0.71 F10 (0.35) F10
SCHEMBL12461518 0.71 F10 (0.35) F10
SCHEMBL8444142 0.71 MIF (0.58) MIFHTTPOLBLMNAALDH1A1

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
EP-0701991-B1 Process for the preparation of lignin analogues and starting materials therefor SHIONOGI & CO (JP) 1999-01-20 — — EP disclosed
US-5731455-A ALKYL 2-ALKYLACYLACRYLATE CHEMICAL INTERMEDIATE; ANTICHOLESTEROL AGENTS SHIONOGI & CO., LTD. (JP) 1998-03-24 — — US disclosed
EP-0597107-B1 LIGNAN ANALOG, PRODUCTION THEREOF, AND HYPOLIPIDEMIC DRUG SHIONOGI & CO (JP) 1996-07-03 — — EP disclosed
US-5502216-A ANTICHOLESTEROL SHIONOGI & CO., LTD. (JP) 1996-03-26 — — US disclosed
EP-0701991-A1 Process for the preparation of lignin analogues and starting materials therefor SHIONOGI & CO., LTD. (JP) 1996-03-20 — — EP disclosed
US-5449814-A Dehydration; Michael condensation SHIONOGI & CO., LTD. (JP) 1995-09-12 — — US disclosed
US-5420333-A Hydroxy ketone compounds SHIONOGI & CO., LTD. (JP) 1995-05-30 — — US disclosed
EP-0597107-A1 LIGNAN ANALOG, PRODUCTION THEREOF, AND HYPOLIPIDEMIC DRUG SHIONOGI & CO., LTD. (JP) 1994-05-18 — — EP disclosed
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