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SCHEMBL8762964

SCHEMBL8762964

COOP(O[C@H]1C[C@H](n2cc(C=CCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)O[C@@H]1C(O)C(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)N(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.31
▸ TK2 O00142 1/20 0.31
▸ RNASE1 P07998 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ TK1 P04183 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ PMP22 Q01453 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL5064819 0.86 TYMS (0.40) TYMSTK2CYP1A2CYP3A4TSHR
SCHEMBL5064816 0.86 TYMS (0.40) TYMSTK2CYP1A2CYP3A4TSHR
SCHEMBL7601149 0.80 TYMS (0.39) TYMSTK2CYP1A2CYP3A4TSHR
SCHEMBL7602877 0.79 TYMS (0.39) TYMSTK2CYP1A2CYP3A4TSHR
SCHEMBL7602647 0.79 TYMS (0.38) TYMSTK2CYP1A2CYP3A4TSHR
SCHEMBL14815673 0.78 RNASE1 (0.43) TK2RNASE1TK1
SCHEMBL7602019 0.78 TYMS (0.39) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL7598036 0.77 TYMS (0.38) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL7602777 0.76 TYMS (0.38) TYMSTK2CYP1A2CYP3A4TSHR
SCHEMBL5064823 0.75 TYMS (0.48) TYMSCYP1A2CYP3A4TSHRTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330221-B1 End labeled nuceotide probe ENZO BIOCHEM INC (US) 1997-10-29 — — EP disclosed
EP-0783000-A2 Method for synthesizing end labeled nucleotide probes ENZO BIOCHEM, INC. (US) 1997-07-09 — — EP disclosed
US-5082830-A Sequence determination, nonradioactive ENZO BIOCHEM, INC. (US) 1992-01-21 — — US disclosed
EP-0330221-A2 End labeled nuceotide probe ENZO BIOCHEM, INC. (US) 1989-08-30 — — EP disclosed