SCHEMBL9638061

SCHEMBL9638061

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ P2RY6 Q15077 3/20 0.46
▸ P2RY14 Q15391 3/20 0.46
▸ NT5E P21589 2/20 0.46
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HBB P68871 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CASP1 P29466 2/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ CASP6 P55212 2/20 0.41
▸ CASP8 Q14790 2/20 0.41
▸ TYMS P04818 1/20 0.41
▸ CASP9 P55211 1/20 0.40
▸ CAPN1 P07384 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
SCHEMBL9638063 1.00 CTSB (0.46) CTSBCTSSCTSKP2RY6P2RY14
SCHEMBL11240778 0.94 P2RY6 (0.48) CTSBCTSSCTSKP2RY6P2RY14
SCHEMBL8670319 0.94 P2RY6 (0.48) CTSBCTSSCTSKP2RY6P2RY14
SCHEMBL11246189 0.93 P2RY6 (0.50) CTSBCTSSCTSKP2RY6P2RY14
SCHEMBL11246184 0.93 P2RY6 (0.50) CTSBCTSSCTSKP2RY6P2RY14
SCHEMBL9638269 0.93 P2RY6 (0.50) CTSBCTSSCTSKP2RY6P2RY14
SCHEMBL9638270 0.93 P2RY6 (0.50) CTSBCTSSCTSKP2RY6P2RY14
SCHEMBL9636912 0.90 TDP1 (0.43) CTSBCTSSCTSKP2RY6P2RY14
SCHEMBL9637176 0.89 CYP3A4 (0.47) CTSBCTSSCTSKP2RY6P2RY14
SCHEMBL9637173 0.89 CYP3A4 (0.47) CTSBCTSSCTSKP2RY6P2RY14

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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