SCHEMBL7142589

SCHEMBL7142589

CC(=O)N1CCN(C(CC=O)C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
PIK3CD O00329 1/20 0.41
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MME P08473 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL16607424 0.76 SLC6A9 (0.42)
SCHEMBL27315681 0.76 SLC6A9 (0.42)
SCHEMBL28108702 0.75 HSD17B10 (0.50) KMT2AALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL701917 0.75 SIGMAR1 (0.35) KMT2AMEN1
SCHEMBL3831288 0.72 LMNA (0.30)
SCHEMBL15559443 0.72 SLC6A3 (0.46) KMT2A
SCHEMBL14735626 0.71 PTPN1 (0.33) HRH3
SCHEMBL15267751 0.68 LMNA (0.34)
SCHEMBL37407 0.67
SCHEMBL860793 0.67 CYP1A2 (0.77) KMT2APIK3CDCYP1A2TDP1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301497-A1 COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS Angiogene Pharmaceuticals Limited (GB) 2003-04-16 EP disclosed
WO-2002004434-A1 COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2002-01-17 WO disclosed