SCHEMBL28910144

SCHEMBL28910144

O=C(O)C[C@H](NC(=O)C1CCCCC1)C(=O)O.[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CASP3 P42574 3/20 0.44
PADI1 Q9ULC6 1/20 0.44
PADI4 Q9UM07 1/20 0.44
LMNA P02545 3/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
PKLR P30613 1/20 0.41
GAA P10253 1/20 0.41
EPHX1 P07099 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
F2R P25116 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7898517 0.98 MME (0.46) MMESMN1; SMN2CASP3PADI1PADI4
SCHEMBL23967395 0.98 MME (0.46) MMESMN1; SMN2CASP3PADI1PADI4
SCHEMBL25206156 0.89 LMNA (0.47) MMECASP3LMNACA2CA4
SCHEMBL25206154 0.89 LMNA (0.47) MMECASP3LMNACA2CA4
SCHEMBL5209318 0.85 SMN1; SMN2 (0.47) SMN1; SMN2CASP3PADI1PADI4LMNA
SCHEMBL1075861 0.85 ECE1 (0.42) SMN1; SMN2PADI1PADI4LMNAHDAC8
SCHEMBL5322759 0.85 ECE1 (0.42) SMN1; SMN2PADI1PADI4LMNAHDAC8
SCHEMBL2797000 0.82 HDAC8 (0.45) PADI1PADI4LMNAHDAC8HDAC6
SCHEMBL2794690 0.82 HDAC8 (0.45) PADI1PADI4LMNAHDAC8HDAC6
SCHEMBL2795524 0.82 HDAC8 (0.45) PADI1PADI4LMNAHDAC8HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115335447-B Nucleating agent, resin composition, method for producing resin composition, and molded article 株式会社ADEKA 2023-12-29 CN disclosed
CN-115335447-A Nucleating agent, resin composition, method for producing resin composition, and molded article 株式会社ADEKA 2022-11-11 CN disclosed