SCHEMBL7308005

SCHEMBL7308005

CC1C(N2CCN(CCC(=O)O)CC2)OC(=O)N1CCN1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
TP53 P04637 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PAOX Q6QHF9 1/20 0.32
CYP1A2 P05177 2/20 0.32
TERT O14746 1/20 0.32
APEX1 P27695 1/20 0.32
KDM1A O60341 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP2D6 P10635 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL7303867 0.93 SMN1; SMN2 (0.38) GLAPAOXCYP1A2KDM1AALDH1A1
SCHEMBL7314634 0.91 GLA (0.38) GLATP53KDM1AALDH1A1KDM4E
SCHEMBL7309061 0.90 HSD17B10 (0.35) CYP1A2ALDH1A1KDM4EHSD17B10CYP2D6
SCHEMBL7306902 0.88 SMN1; SMN2 (0.40) TP53L3MBTL1CYP1A2TERTKDM1A
SCHEMBL7301320 0.86 DRD2 (0.33) GLAKDM1A
SCHEMBL7317129 0.86 KMT2A (0.45) ALDH1A1MAPT
SCHEMBL7308037 0.85 PKM (0.35) GLAL3MBTL1CYP1A2TERTKDM1A
SCHEMBL7311142 0.85 GLA (0.34) GLAPAOXCYP1A2
SCHEMBL7313428 0.84 CYP1A2 (0.37) CYP1A2KDM1A
SCHEMBL7303823 0.84 PAOX (0.35) GLAL3MBTL1PAOXCYP1A2ALDH1A1

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
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed