SCHEMBL8534788

SCHEMBL8534788

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.62
HSP90AA1 P07900 1/20 0.53
P2RY6 Q15077 3/20 0.52
P2RY14 Q15391 2/20 0.52
NT5E P21589 1/20 0.52
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
PMP22 Q01453 1/20 0.48
HBB P68871 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8534790 1.00 TYMP (0.62) TYMPHSP90AA1P2RY6P2RY14NT5E
SCHEMBL9229284 0.93 HSP90AA1 (0.60) TYMPHSP90AA1P2RY6P2RY14NT5E
SCHEMBL9229289 0.93 HSP90AA1 (0.60) TYMPHSP90AA1P2RY6P2RY14NT5E
SCHEMBL8542375 0.92 HSP90AA1 (0.59) TYMPHSP90AA1P2RY6P2RY14NT5E
SCHEMBL7805446 0.92 HSP90AA1 (0.59) TYMPHSP90AA1P2RY6P2RY14NT5E
SCHEMBL3069438 0.90 TYMP (0.62) TYMPP2RY6P2RY14
SCHEMBL9710318 0.90 TYMP (0.62) TYMPP2RY6P2RY14
SCHEMBL13714472 0.90 TYMP (0.62) TYMPP2RY6P2RY14
SCHEMBL13205014 0.90 TYMP (0.62) TYMPP2RY6P2RY14
SCHEMBL15974161 0.90 TYMP (0.62) TYMPP2RY6P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741900-A REACTING PROTECTED FLUOROURIDINE WITH SUCCINIC ANHYDRIDE, ATTACHING TO LONG-CHAIN ALKYLAMINE CONTROLLED PORE GLASS IN ANHYDROUS PYRIDINE IN PRESENCE OF DIMETHYLAMINOPYRIDINE AND DIMETHYLAMINOPROPYL/ETHYLCARBODIIMIDE THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1998-04-21 US disclosed
US-5663321-A INHIBITOR OF THYMIDYLATE SYNTHASE; ANTICANCER/ANTITUMOR AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1997-09-02 US disclosed
US-5614505-A 5-FLUOROURIDINE OR 5-FLUORODEOXYURIDINE, DRUG DELIVERY, IMPROVED BIOAVAILABILITY, ANTICARCINOGENIC AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1997-03-25 US disclosed
US-5457187-A Antitumor, anticarcinogeic agents BOARD OF REGENTS UNIVERSITY OF NEBRASKA (US) 1995-10-10 US disclosed