SCHEMBL8668446

SCHEMBL8668446

CC(C)[C@H](N)C(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C(O)C1O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 6/20 0.58
▸ P2RY14 Q15391 4/20 0.58
▸ NT5E P21589 1/20 0.58
▸ TSHR P16473 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ HBB P68871 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ DNPH1 O43598 1/20 0.46
▸ PYGM P11217 3/20 0.44

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
SCHEMBL8668441 1.00 P2RY6 (0.58) P2RY6P2RY14NT5ETSHRLMNA
Hydrochloric Acid SCHEMBL11240681 0.99 P2RY6 (0.57) P2RY6P2RY14NT5ETSHRLMNA
Hydrochloric Acid SCHEMBL9637995 0.91 P2RY6 (0.59) P2RY6P2RY14NT5ETSHRLMNA
Hydrochloric Acid SCHEMBL9637999 0.91 P2RY6 (0.59) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL10332198 0.91 P2RY6 (0.53) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL10332199 0.91 P2RY6 (0.53) P2RY6P2RY14NT5ETSHRLMNA
Hydrochloric Acid SCHEMBL9638073 0.91 P2RY6 (0.55) P2RY6P2RY14NT5ETSHRLMNA
Hydrochloric Acid SCHEMBL9638065 0.91 P2RY6 (0.55) P2RY6P2RY14NT5ETSHRLMNA
Hydrochloric Acid SCHEMBL9638026 0.90 P2RY6 (0.52) P2RY6P2RY14NT5ETSHRLMNA
Hydrochloric Acid SCHEMBL9638354 0.90 P2RY6 (0.52) P2RY6P2RY14NT5ETSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63030422-A — — None — — JP disclosed
US-5783689-A Antibacterial and antifungal nucleosides UNIVERSITY OF NOTRE DAME (US) 1998-07-21 — — US disclosed
US-5783689-A Antibacterial and antifungal nucleosides UNIVERSITY OF NOTRE DAME (US) 1998-07-21 — — US disclosed
JP-S6330422-A AGENT FOR PROMOTING ANTI-MALIGNANT TUMOR EFFECT FUJI KAGAKU KOGYO KK 1988-02-09 — — JP 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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