SCHEMBL31085277

SCHEMBL31085277

NC(=O)C1C[C@H]2CC[C@@H](C1)O2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.31

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
SCHEMBL31085303 1.00 HDAC3 (0.36) HDAC3HDAC1HDAC2KDM4EMAPT
SCHEMBL31085278 1.00 HDAC3 (0.36) HDAC3HDAC1HDAC2KDM4EMAPT
SCHEMBL12494819 0.90 KDM4E (0.33) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL13735624 0.77 TSHR (0.39) HDAC3HDAC1HDAC2KDM4ECYP2D6
SCHEMBL7715570 0.74 KDM4E (0.40) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL7715567 0.74 KDM4E (0.40) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL31022855 0.73 KDM4E (0.41) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL17262920 0.70
SCHEMBL22834857 0.70 HDAC3 (0.31) HDAC3HDAC1HDAC2
SCHEMBL17262915 0.70 MEN1 (0.35) KDM4EKMT2A

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-112689507-B Amino acid compounds having unbranched linkers and methods of use thereof 普利安特治疗公司 2024-07-30 CN disclosed