SCHEMBL8670319

SCHEMBL8670319

CC(C)[C@H](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 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 4/20 0.48
▸ P2RY14 Q15391 3/20 0.48
▸ NT5E P21589 2/20 0.48
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ HBB P68871 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ CASP8 Q14790 1/20 0.44
▸ TYMS P04818 1/20 0.43
▸ CAPN1 P07384 2/20 0.41
▸ HINT1 P49773 1/20 0.41

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
SCHEMBL11240778 1.00 P2RY6 (0.48) P2RY6P2RY14NT5ECTSBCTSS
SCHEMBL9638063 0.94 CTSB (0.46) P2RY6P2RY14NT5ECTSBCTSS
SCHEMBL9638061 0.94 CTSB (0.46) P2RY6P2RY14NT5ECTSBCTSS
SCHEMBL9637176 0.93 CYP3A4 (0.47) P2RY6P2RY14NT5ECTSBCTSS
SCHEMBL9637173 0.93 CYP3A4 (0.47) P2RY6P2RY14NT5ECTSBCTSS
SCHEMBL9638269 0.93 P2RY6 (0.50) P2RY6P2RY14NT5ECTSBCTSS
SCHEMBL11246184 0.93 P2RY6 (0.50) P2RY6P2RY14NT5ECTSBCTSS
SCHEMBL9638270 0.93 P2RY6 (0.50) P2RY6P2RY14NT5ECTSBCTSS
SCHEMBL11246189 0.93 P2RY6 (0.50) P2RY6P2RY14NT5ECTSBCTSS
SCHEMBL9637216 0.89 P2RY6 (0.44) P2RY6P2RY14NT5ECTSBCTSS

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
US-5783689-A Antibacterial and antifungal nucleosides UNIVERSITY OF NOTRE DAME (US) 1998-07-21 — — US disclosed
US-4340728-A ANTITUMOR AGENT OF 5-FLUORO URIDINE OR URACIL DERIVATIVE FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-07-20 — — US disclosed
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