SCHEMBL9545134

SCHEMBL9545134

NC1CCC(C(O)C2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 3/20 0.39
ALDH1A1 P00352 1/20 0.32
SHBG P04278 1/20 0.32

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
SCHEMBL21222606 0.89 DPP4 (0.33)
SCHEMBL1543696 0.89 DPP4 (0.33)
SCHEMBL1543698 0.89 DPP4 (0.33)
SCHEMBL13240717 0.89 DPP4 (0.33)
SCHEMBL1543739 0.89 DPP4 (0.33)
SCHEMBL1077444 0.84 TP53 (0.50) TP53KDM4EGMNNLMNAMAPT
SCHEMBL28204907 0.84 TP53 (0.50) TP53KDM4EGMNNLMNAMAPT
SCHEMBL9254730 0.84 TP53 (0.50) TP53KDM4EGMNNLMNAMAPT
SCHEMBL2712401 0.81 TP53 (0.46) TP53KDM4EGMNNLMNAMAPT
SCHEMBL6373939 0.79 EPHX1 (0.40) TP53KDM4EGMNNLMNAMAPT

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-1993016030-A1 PROMOTERS FOR HYDROGENATION OF AROMATIC AMINES OLIN CORPORATION (US) 1993-08-19 WO disclosed