SCHEMBL8964497

SCHEMBL8964497

COC(=O)[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 15/20 0.65
▸ TAS1R1 Q7RTX1 15/20 0.65
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ GAA P10253 1/20 0.51

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
SCHEMBL8964493 1.00 TAS1R3 (0.65) TAS1R3TAS1R1KDM4EALDH1A1POLB
SCHEMBL13302673 0.87 TAS1R3 (0.63) TAS1R3TAS1R1
SCHEMBL735245 0.86 ALDH1A1 (0.72) TAS1R3TAS1R1KDM4EALDH1A1POLB
SCHEMBL452263 0.86 ALDH1A1 (0.72) TAS1R3TAS1R1KDM4EALDH1A1POLB
SCHEMBL452264 0.86 ALDH1A1 (0.72) TAS1R3TAS1R1KDM4EALDH1A1POLB
SCHEMBL8964466 0.86 ALDH1A1 (0.49) TAS1R3TAS1R1KDM4EALDH1A1POLB
SCHEMBL453575 0.86 ALDH1A1 (0.49) TAS1R3TAS1R1KDM4EALDH1A1POLB
SCHEMBL453576 0.86 ALDH1A1 (0.49) TAS1R3TAS1R1KDM4EALDH1A1POLB
SCHEMBL457080 0.85 ALDH1A1 (0.56) TAS1R3TAS1R1KDM4EALDH1A1POLB
SCHEMBL455428 0.85 ALDH1A1 (0.56) TAS1R3TAS1R1KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532664-B1 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS RES CORP TECHNOLOGIES INC (US) 1996-02-14 — — EP disclosed
EP-0532664-A4 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS — 1993-03-31 — — EP disclosed
EP-0532664-A1 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS. RES CORP TECHNOLOGIES INC (US) 1993-03-24 — — EP disclosed
US-5080795-A Resolution of racemates, complexing of chiral carrier and the enantiomorph in semipermeable barrier membrane RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-01-14 — — US disclosed
WO-1991017816-A1 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-11-28 — — WO disclosed
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