SCHEMBL9636927

SCHEMBL9636927

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)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 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.42
▸ PSMB5 P28074 2/20 0.40
▸ FASN P49327 1/20 0.40
▸ CPB1 P15086 1/20 0.39
▸ CPB2 Q96IY4 1/20 0.39
▸ P2RY6 Q15077 2/20 0.38
▸ P2RY14 Q15391 2/20 0.38
▸ NT5E P21589 1/20 0.38
▸ SIRT2 Q8IXJ6 8/20 0.37
▸ SIRT1 Q96EB6 7/20 0.37
▸ SIRT3 Q9NTG7 5/20 0.37
▸ DOT1L Q8TEK3 1/20 0.37

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
SCHEMBL9638021 0.98 TDP1 (0.43) TDP1PSMB5FASNCPB1CPB2
SCHEMBL9637913 0.97 TDP1 (0.41) TDP1PSMB5FASNCPB1CPB2
SCHEMBL10694865 0.97 TDP1 (0.41) TDP1PSMB5FASNCPB1CPB2
SCHEMBL9636912 0.91 TDP1 (0.43) TDP1PSMB5FASNCPB1CPB2
SCHEMBL9638053 0.91 REN (0.44) P2RY6P2RY14NT5E
SCHEMBL9637216 0.90 P2RY6 (0.44) P2RY6P2RY14NT5E
SCHEMBL9637218 0.90 P2RY6 (0.44) P2RY6P2RY14NT5E
SCHEMBL9636996 0.89 TYMS (0.44) P2RY6P2RY14NT5E
SCHEMBL9637000 0.89 TYMS (0.44) P2RY6P2RY14NT5E
SCHEMBL9637176 0.87 CYP3A4 (0.47) P2RY6P2RY14NT5E

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-0268678-B1 NOVEL 5-FLUOROURIDINE COMPOUNDS AND PROCESS FOR THEIR PREPARATION FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-29 — — EP 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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