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SCHEMBL6933233

SCHEMBL6933233

CCC(O[C@@H]1[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](C(O)C(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ TYMP P19971 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL6930727 0.91 KDM4E (0.38) KDM4ETYMPALDH1A1TAS1R3TAS1R1
SCHEMBL6929037 0.91 KDM4E (0.38) KDM4ETYMPALDH1A1TAS1R3TAS1R1
SCHEMBL6929166 0.89 KDM4E (0.37) KDM4ETYMPALDH1A1TAS1R3TAS1R1
SCHEMBL6934734 0.89 KDM4E (0.37) KDM4ETYMPALDH1A1TAS1R3TAS1R1
SCHEMBL6932401 0.88 TYMP (0.32) TYMP
SCHEMBL17222397 0.86 KDM4E (0.47) KDM4ETYMPTAS1R3TAS1R1
SCHEMBL6244507 0.86 TYMP (0.40) KDM4ETYMPALDH1A1TAS1R3TAS1R1
SCHEMBL6933497 0.81 TYMP (0.39) KDM4ETYMPALDH1A1TAS1R3TAS1R1
SCHEMBL23138150 0.80 TYMP (0.45) KDM4ETYMPTAS1R3TAS1R1
SCHEMBL668619 0.80 TYMP (0.45) KDM4ETYMPTAS1R3TAS1R1

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-0651759-B1 NOVEL 2'-O-ALKYL NUCLEOSIDES AND PHOSPHORAMIDITES PROCESSES FOR THE PREPARATION AND USES THEREOF ISIS PHARMACEUTICALS INC (US) 2003-12-10 — — EP disclosed
EP-1223173-A2 Novel 2'-O-alkyl nucleosides and phosphoramidites processes for the preparation and uses thereof ISIS PHARMACEUTICALS, INC. (US) 2002-07-17 — — EP disclosed
US-6133438-A Process for the preparation of 2'-O-alkyl purine phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 2000-10-17 — — US disclosed
US-5914396-A 2'-O-modified nucleosides and phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 1999-06-22 — — US disclosed
US-5646265-A Process for the preparation of 2'-O-alkyl purine phosphoramidites ISIS PHARMCEUTICALS, INC. (US) 1997-07-08 — — US disclosed
EP-0651759-A4 NOVEL 2'-O-ALKYL NUCLEOSIDES AND PHOSPHORAMIDITES PROCESSES FOR THE PREPARATION AND USES THEREOF. ISIS PHARMACEUTICALS INC (US) 1995-10-25 — — EP disclosed
EP-0651759-A1 NOVEL 2'-O-ALKYL NUCLEOSIDES AND PHOSPHORAMIDITES PROCESSES FOR THE PREPARATION AND USES THEREOF ISIS PHARMACEUTICALS, INC. (US) 1995-05-10 — — EP disclosed
WO-1994002501-A1 NOVEL 2'-O-ALKYL NUCLEOSIDES AND PHOSPHORAMIDITES PROCESSES FOR THE PREPARATION AND USES THEREOF ISIS PHARMACEUTICALS, INC. (US) 1994-02-03 — — WO disclosed