SCHEMBL31087113

SCHEMBL31087113

NC(=O)C1(C(=O)NCCCCCNC(=O)[C@H](CO)N2C(=O)C=CC2=O)CCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 12/20 0.36
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33
▸ TACR2 P21452 3/20 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
SCHEMBL31087110 0.79 GNAI3 (0.40) —
SCHEMBL30469018 0.78 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16834889 0.69 PTGS1 (0.47) SPHK1
SCHEMBL18100026 0.68 MGLL (0.44) SPHK1
SCHEMBL22220046 0.66 MGLL (0.41) SPHK1
SCHEMBL21695308 0.65 OPRM1 (0.36) SPHK1
SCHEMBL31087100 0.65 GNAI3 (0.40) —
SCHEMBL22698762 0.65 MGLL (0.41) SPHK1
SCHEMBL21695307 0.65 OPRM1 (0.34) SPHK1
SCHEMBL18165057 0.64 PAOX (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2

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-118591393-A Antibody conjugated chemical degradation inducers with hydrolyzable maleimide linkers and methods thereof 基因泰克公司 2024-09-03 — — CN disclosed
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