SCHEMBL10332211

SCHEMBL10332211

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 6/20 0.46
▸ P2RY14 Q15391 5/20 0.46
▸ NT5E P21589 1/20 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
▸ PLA2G1B P04054 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ DNPH1 O43598 1/20 0.37
▸ PYGM P11217 1/20 0.36

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
SCHEMBL10332208 1.00 P2RY6 (0.46) P2RY6P2RY14NT5ETSHRLMNA
Hydrochloric Acid SCHEMBL9637192 0.99 P2RY6 (0.45) P2RY6P2RY14NT5ETSHRLMNA
Hydrochloric Acid SCHEMBL9637199 0.99 P2RY6 (0.45) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL10332186 0.98 P2RY6 (0.44) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL10332184 0.98 P2RY6 (0.44) P2RY6P2RY14NT5ETSHRLMNA
Hydrochloric Acid SCHEMBL9636952 0.97 P2RY6 (0.43) P2RY6P2RY14NT5ETSHRLMNA
Hydrochloric Acid SCHEMBL9636947 0.97 P2RY6 (0.43) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL10332274 0.90 P2RY6 (0.50) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL10332276 0.90 P2RY6 (0.50) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL10332443 0.90 TYMS (0.40) 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 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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