SCHEMBL29815704

SCHEMBL29815704

C[C@@H](O)[C@H](N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.43
▸ RAMP3 O60896 13/20 0.43
▸ CALCR P30988 13/20 0.43

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
SCHEMBL31319515 0.93 RAMP3 (0.48) KEAP1RAMP3CALCR
SCHEMBL29772973 0.92 NOD1 (0.41) KEAP1RAMP3CALCR
SCHEMBL31031526 0.89 RAMP3 (0.43) RAMP3CALCR
SCHEMBL8431335 0.89 RAMP3 (0.47) RAMP3CALCR
SCHEMBL29772950 0.87 FOLH1 (0.45) —
SCHEMBL30683549 0.87 FOLH1 (0.45) —
SCHEMBL30197694 0.87 NOD1 (0.40) —
SCHEMBL29736168 0.87 KEAP1 (0.47) KEAP1RAMP3CALCR
SCHEMBL29736243 0.87 PRMT1 (0.46) KEAP1RAMP3CALCR
SCHEMBL30974056 0.87 NPY4R (0.38) —

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
CN-113373128-B Epoxide hydrolase mutant with improved catalytic efficiency and preparation method thereof 深圳市微滴科技顾问有限公司 2022-09-16 — — CN disclosed
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