SCHEMBL6689892

SCHEMBL6689892

CCC1(CC(=O)C(=O)O)CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.43
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KDM1A O60341 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL6688420 0.96 HDAC9 (0.41) NR3C1HDAC9SIGMAR1
SCHEMBL6925659 0.89 NR3C1 (0.40) NR3C1KDM5AKDM4CKDM5BKDM1A
SCHEMBL15673547 0.89 NR3C1 (0.44) NR3C1KDM5AKDM4CKDM5BKDM1A
SCHEMBL6686815 0.85 NR3C1 (0.41) NR3C1KDM5AKDM4CKDM5B
SCHEMBL808956 0.82 NR3C1 (0.51) NR3C1SIGMAR1
SCHEMBL5138499 0.82 KDM1A (0.50) NR3C1KDM1AEBPSIGMAR1
SCHEMBL6683861 0.80 KDM5A (0.50) NR3C1KDM5AKDM4CKDM5BKDM1A
SCHEMBL23385700 0.76 KDM1A (0.49) NR3C1KDM1AEBPSIGMAR1
SCHEMBL5547903 0.76 SIGMAR1 (0.47) NR3C1KDM1AEBPSIGMAR1
SCHEMBL809227 0.76 NR3C1 (0.48) NR3C1KDM1AEBPSIGMAR1

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
WO-2004071389-A2 NON-STEROIDAL INFALMMATION INHIBITORS GLAXO GROUP LIMITED (GB) 2004-08-26 WO disclosed