SCHEMBL9638053

SCHEMBL9638053

CC[C@H](C)[C@H](NC(=O)[C@H](C)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 15)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.44
▸ CTSB P07858 6/20 0.43
▸ CTSK P43235 6/20 0.43
▸ TYMS P04818 1/20 0.43
▸ P2RY6 Q15077 2/20 0.40
▸ P2RY14 Q15391 2/20 0.40
▸ NT5E P21589 1/20 0.40
▸ MME P08473 1/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CTSS P25774 2/20 0.39

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 0.98 TYMS (0.44) RENCTSBCTSKTYMSP2RY6
SCHEMBL9636996 0.98 TYMS (0.44) RENCTSBCTSKTYMSP2RY6
SCHEMBL9637218 0.94 P2RY6 (0.44) CTSBCTSKTYMSP2RY6P2RY14
SCHEMBL9637216 0.94 P2RY6 (0.44) CTSBCTSKTYMSP2RY6P2RY14
SCHEMBL10694865 0.93 TDP1 (0.41) RENCTSBCTSKTYMS
SCHEMBL9637913 0.93 TDP1 (0.41) RENCTSBCTSKTYMS
SCHEMBL9637176 0.91 CYP3A4 (0.47) CTSBCTSKTYMSP2RY6P2RY14
SCHEMBL9637173 0.91 CYP3A4 (0.47) CTSBCTSKTYMSP2RY6P2RY14
SCHEMBL9636927 0.91 TDP1 (0.42) P2RY6P2RY14NT5E
SCHEMBL10332220 0.89 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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