SCHEMBL17378348

SCHEMBL17378348

COC1=C(NCC(=O)O)CCC/C1=N\[C@@H](CO)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.39
▸ NFE2L2 Q16236 2/20 0.39
▸ ROCK2 O75116 1/20 0.30
▸ GRK2 P25098 1/20 0.30

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
SCHEMBL17378347 1.00 KEAP1 (0.39) KEAP1NFE2L2ROCK2GRK2
SCHEMBL17378346 1.00 KEAP1 (0.39) KEAP1NFE2L2ROCK2GRK2
SCHEMBL18811989 0.85 KEAP1 (0.35) KEAP1NFE2L2
SCHEMBL17378363 0.79 KEAP1 (0.43) KEAP1NFE2L2
SCHEMBL13532040 0.79 KEAP1 (0.55) KEAP1NFE2L2
SCHEMBL30892082 0.79 KEAP1 (0.55) KEAP1NFE2L2
SCHEMBL19129822 0.79 KEAP1 (0.55) KEAP1NFE2L2
SCHEMBL17378352 0.77 KEAP1 (0.43) KEAP1NFE2L2
SCHEMBL17378351 0.76 KEAP1 (0.42) KEAP1NFE2L2
SCHEMBL17378357 0.76 KEAP1 (0.42) KEAP1NFE2L2

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-2015195546-A1 TOPICAL FORMULATIONS FOR UV PROTECTION TopGeniX, Inc. (US) 2015-12-23 — — WO disclosed
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