SCHEMBL31031022

SCHEMBL31031022

CN(CC1(CO)CCC1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ASGR1 P07306 1/20 0.36
▸ FPR3 P25089 1/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL23282418 0.93 ASGR1 (0.40) ASGR1FPR3FPR2NFKB1NFKB2
SCHEMBL21997499 0.86 USP2 (0.35) ASGR1FPR3FPR2
SCHEMBL28595610 0.81 HTR2C (0.32) —
SCHEMBL8140265 0.81 USP2 (0.41) —
SCHEMBL28585822 0.79 NFKB1 (0.31) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL23572515 0.79 MEN1 (0.32) —
SCHEMBL31703654 0.76 HDAC6 (0.33) ASGR1FPR3FPR2NFKB1NFKB2
SCHEMBL29085907 0.76 — —
SCHEMBL23572468 0.75 ASGR1 (0.32) ASGR1HDAC6
SCHEMBL21996815 0.75 CTSL (0.35) —

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-118239947-A Compound, intermediate, preparation method, pharmaceutical composition and application 上海艾力斯医药科技股份有限公司 2024-06-25 — — CN disclosed
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