SCHEMBL31125458

SCHEMBL31125458

CC1CN(C(=O)OC(C)(C)C)C1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ATM Q13315 2/20 0.32
▸ SETD7 Q8WTS6 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ UCHL1 P09936 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
SCHEMBL31125669 0.82 — —
SCHEMBL1948727 0.80 HSD17B10 (0.39) MAPK1CHRM2CHRM1CHRM3HSD11B1
SCHEMBL4959104 0.78 HSD17B10 (0.50) HSD17B10UCHL1
SCHEMBL9893215 0.78 HSD17B10 (0.50) HSD17B10UCHL1
SCHEMBL357242 0.78 HSD17B10 (0.50) HSD17B10UCHL1
SCHEMBL31125571 0.78 MAPK1 (0.33) MAPK1CHRM2CHRM1CHRM3HSD11B1
SCHEMBL26464450 0.77 CYP1A2 (0.47) CHRM2CHRM1CHRM3HSD11B1DDB1
SCHEMBL26464816 0.77 CYP1A2 (0.47) CHRM2CHRM1CHRM3HSD11B1DDB1
SCHEMBL26464539 0.77 CYP1A2 (0.47) CHRM2CHRM1CHRM3HSD11B1DDB1
SCHEMBL26464715 0.77 CYP1A2 (0.47) CHRM2CHRM1CHRM3HSD11B1DDB1

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-113195053-B Amino acid compounds and methods of use 普利安特治疗公司 2024-08-30 — — CN disclosed
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