SCHEMBL20510782

SCHEMBL20510782

Cc1oc(=O)oc1COC(=O)NC(C(=O)O)C(C)(C)SC(=O)OCc1oc(=O)oc1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.34
▸ TYR P14679 2/20 0.32
▸ CHRM1 P11229 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ ADRA1A P35348 1/20 0.31

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
SCHEMBL18631780 1.00 FOLH1 (0.34) FOLH1TYRCHRM1TBXA2RADRA1A
SCHEMBL18653723 0.91 FOLH1 (0.31) FOLH1
SCHEMBL18653860 0.91 FOLH1 (0.31) FOLH1
SCHEMBL18653722 0.90 FOLH1 (0.30) FOLH1
SCHEMBL18650372 0.89 — —
SCHEMBL18653724 0.88 — —
SCHEMBL18653861 0.81 — —
SCHEMBL18653719 0.81 FOLH1 (0.36) FOLH1CHRM1TBXA2RADRA1A
SCHEMBL18653862 0.81 — —
SCHEMBL18650398 0.81 — —

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
WO-2018174839-A1 CYSTEINE, N-ACETYLCYSTEINE AND PENICILLAMINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2018-09-27 — — WO disclosed
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