SCHEMBL7671107

SCHEMBL7671107

COC(=O)C1C(c2ccc3c(c2)OCO3)OC(=O)N1C(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.44
EDNRA P25101 4/20 0.44
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ACHE P22303 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7672634 0.91 EDNRB (0.43) EDNRBEDNRARAB9ATSHRGAA
SCHEMBL7661213 0.86 KDM4E (0.41) EDNRBEDNRARAB9AGAAKDM4E
SCHEMBL7665900 0.86 KDM4E (0.41) EDNRBEDNRARAB9AGAAKDM4E
SCHEMBL7672014 0.84 CYP2D6 (0.39) TSHR
SCHEMBL7667651 0.84 CYP2D6 (0.39) TSHR
SCHEMBL7671908 0.82 HIF1A (0.43) RAB9AGAAKDM4EACHESMN1; SMN2
SCHEMBL7672624 0.82 ALDH1A1 (0.39) RAB9ATSHRKDM4ESMN1; SMN2NPC1
SCHEMBL7667659 0.78 KDM4E (0.38) RAB9ATSHRGAAKDM4ESMN1; SMN2
SCHEMBL7674321 0.76 CHRM4 (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7672498 0.76 MAPT (0.39) TSHRGAAALDH1A1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414160-B1 REACTING 5-ALKOXY-2(3H)OXAZOLONE COMPOUND WITH ALDEHYDE COMPOUND IN PRESENCE OF LEWIS ACID CATALYST UBE INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1000937-A1 PROCESS FOR PRODUCING 4-ALKOXYCARBONYL-2-OXAZOLIDINONE COMPOUNDS UBE INDUSTRIES LIMITED (JP) 2000-05-17 EP disclosed