SCHEMBL7875665

SCHEMBL7875665

CC(C)(C)N(CCCCn1cnc(N)c1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 14/20 0.35
CPB1 P15086 8/20 0.34
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
TBXAS1 P24557 3/20 0.32
CPA1 P15085 1/20 0.31
KDM4A O75164 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL7863644 0.80 L3MBTL1 (0.41) CPB2
SCHEMBL11908082 0.74 KDM5A (0.37) CPB2CPB1KDM5AKDM5BKDM4A
SCHEMBL7024536 0.71 CPB2 (0.40) CPB2CPB1
SCHEMBL27744446 0.70 CPB2 (0.39) CPB2CPB1
SCHEMBL671963 0.69 L3MBTL1 (0.39)
SCHEMBL9729220 0.69 TBXAS1 (0.46) CPB2CPB1TBXAS1
SCHEMBL27744433 0.68 ADORA2B (0.32) CPB2CPB1
SCHEMBL2982508 0.68 CPB2 (0.43) CPB2CPB1
SCHEMBL2982336 0.67 PDE4A (0.35) CPB2CPB1KDM5AKDM5BCPA1
SCHEMBL24655834 0.67 KDM5A (0.44) KDM5AKDM5BKDM4AKDM4C

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
US-6313101-B1 ANTIBIOTICS AVENTIS PHARMA S.A. (FR) 2001-11-06 US disclosed