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SCHEMBL17844997

SCHEMBL17844997

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C=CC(=O)NCCCCCCNC(=O)C(F)(F)F)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 4/20 0.45
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TK1 P04183 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TYMP P19971 1/20 0.41

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
SCHEMBL17844996 1.00 TYMS (0.45) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL887563 0.94 TYMS (0.44) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL19500417 0.92 TYMS (0.44) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL14286636 0.88 TYMS (0.48) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL5064823 0.88 TYMS (0.48) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL8159110 0.88 TYMS (0.46) TYMSTK1TYMP
SCHEMBL8166332 0.86 TYMS (0.47) TYMSTK1TYMP
SCHEMBL4814982 0.84 TYMS (0.44) TYMSTYMP
SCHEMBL3088129 0.83 CYP1A2 (0.60) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL28636366 0.83 TYMS (0.30) TYMS

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
EP-3234132-A1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS Dicerna Pharmaceuticals, Inc. (US) 2017-10-25 — — EP disclosed
WO-2016100401-A1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS DICERNA PHARMACEUTICALS, INC. (US) 2016-06-23 — — WO disclosed