Sugi Predict

Sugi Predict / Compounds / SCHEMBL8723947

SCHEMBL8723947

SCHEMBL8723947

CC(C)(C)OC(=O)CC[C@H](NC(=O)c1ccc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc1F)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 11/20 0.35
▸ P2RY12 Q9H244 1/20 0.32

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
SCHEMBL8722824 0.86 TYMS (0.37) TYMS
SCHEMBL9751797 0.86 P2RY12 (0.38) P2RY12
SCHEMBL8722810 0.85 TYMS (0.36) TYMSP2RY12
SCHEMBL7906466 0.81 ABCB1 (0.32) P2RY12
SCHEMBL6885648 0.80 TYMS (0.47) TYMS
SCHEMBL9782470 0.78 ALOX5 (0.36) TYMSP2RY12
SCHEMBL9228554 0.78 ALOX5 (0.36) TYMSP2RY12
SCHEMBL8721880 0.78 ALOX5 (0.36) TYMSP2RY12
SCHEMBL8509781 0.78 LMNA (0.33) —
SCHEMBL6885924 0.77 TYMS (0.37) TYMSP2RY12

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
EP-0696270-B1 4-AMINO-FLUOROBENZAMIDES AND THEIR USE AS CYTOTOXIC PRODRUGS CANCER RES CAMPAIGN TECH (GB) 1998-11-04 — — EP disclosed