SCHEMBL10332265

SCHEMBL10332265

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 2/20 0.43
▸ P2RY14 Q15391 2/20 0.43
▸ NT5E P21589 1/20 0.43
▸ TYMS P04818 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HBB P68871 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CTSD P07339 1/20 0.38
▸ HINT1 P49773 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
SCHEMBL10332267 1.00 P2RY6 (0.43) P2RY6P2RY14NT5ETYMSTSHR
Hydrochloric Acid SCHEMBL9636967 0.99 P2RY6 (0.42) P2RY6P2RY14NT5ETYMSTSHR
Hydrochloric Acid SCHEMBL9636973 0.99 P2RY6 (0.42) P2RY6P2RY14NT5ETYMSTSHR
SCHEMBL10332496 0.98 P2RY6 (0.44) P2RY6P2RY14NT5ETYMSTSHR
SCHEMBL10332498 0.98 P2RY6 (0.44) P2RY6P2RY14NT5ETYMSTSHR
Hydrochloric Acid SCHEMBL9638086 0.97 P2RY6 (0.44) P2RY6P2RY14NT5ETYMSTSHR
Hydrochloric Acid SCHEMBL9638091 0.97 P2RY6 (0.44) P2RY6P2RY14NT5ETYMSTSHR
SCHEMBL10332249 0.92 P2RY6 (0.44) P2RY6P2RY14NT5ETYMSTSHR
SCHEMBL10332251 0.92 P2RY6 (0.44) P2RY6P2RY14NT5ETYMSTSHR
Hydrochloric Acid SCHEMBL9637182 0.91 P2RY6 (0.43) P2RY6P2RY14NT5ETYMSTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4892939-A ANTITUMOR, ANTIVIRAL AND IMMUNOSUPRESSIVE AGENTS FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-09 — — US claimed
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