SCHEMBL9636996

SCHEMBL9636996

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.44
▸ REN P00797 1/20 0.42
▸ P2RY6 Q15077 2/20 0.42
▸ P2RY14 Q15391 2/20 0.42
▸ NT5E P21589 1/20 0.42
▸ CTSK P43235 5/20 0.41
▸ CTSB P07858 5/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MME P08473 1/20 0.41
▸ ECE1 P42892 1/20 0.41
▸ CTSS P25774 3/20 0.40
▸ CTSL P07711 2/20 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
SCHEMBL9637000 1.00 TYMS (0.44) TYMSRENP2RY6P2RY14NT5E
SCHEMBL9638053 0.98 REN (0.44) TYMSRENP2RY6P2RY14NT5E
SCHEMBL9637218 0.93 P2RY6 (0.44) TYMSP2RY6P2RY14NT5ECTSK
SCHEMBL9637216 0.93 P2RY6 (0.44) TYMSP2RY6P2RY14NT5ECTSK
SCHEMBL9637176 0.93 CYP3A4 (0.47) TYMSP2RY6P2RY14NT5ECTSK
SCHEMBL9637173 0.93 CYP3A4 (0.47) TYMSP2RY6P2RY14NT5ECTSK
SCHEMBL9637913 0.91 TDP1 (0.41) TYMSRENCTSKCTSB
SCHEMBL10694865 0.91 TDP1 (0.41) TYMSRENCTSKCTSB
SCHEMBL10332220 0.91 TYMS (0.44) TYMSP2RY6P2RY14NT5E
SCHEMBL10332223 0.91 TYMS (0.44) TYMSP2RY6P2RY14NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268678-B1 NOVEL 5-FLUOROURIDINE COMPOUNDS AND PROCESS FOR THEIR PREPARATION FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-29 — — EP disclosed
US-4892939-A ANTITUMOR, ANTIVIRAL AND IMMUNOSUPRESSIVE AGENTS FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-09 — — US disclosed
EP-0268678-A1 NOVEL 5-FLUOROURIDINE COMPOUNDS AND PROCESS FOR THEIR PREPARATION FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-06-01 — — EP disclosed
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