SCHEMBL7140265

SCHEMBL7140265

CC(=O)N1CCN(Cc2ccccc2C(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.56
HRH3 Q9Y5N1 2/20 0.53
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 5/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
CYP2D6 P10635 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
ALOX15 P16050 1/20 0.47
POLB P06746 1/20 0.47
FAAH O00519 1/20 0.47

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
SCHEMBL6043362 0.85 SIGMAR1 (0.49) BRD4HRH3MEN1KMT2APOLB
SCHEMBL3454127 0.84 HDAC3 (0.56) BRD4ALDH1A1KDM4ELMNAHTT
SCHEMBL27669691 0.84 HRH3 (0.56) HRH3ALDH1A1KDM4ELMNAHTT
SCHEMBL15058449 0.83 HDAC3 (0.55) BRD4ALDH1A1KDM4ELMNAHTT
Hydrochloric Acid SCHEMBL30279971 0.83 HDAC3 (0.55) BRD4ALDH1A1KDM4ELMNAHTT
Hydrochloric Acid SCHEMBL17338492 0.83 HDAC3 (0.55) BRD4ALDH1A1KDM4ELMNAHTT
SCHEMBL7484815 0.83 SIGMAR1 (0.60) ALDH1A1KDM4ELMNATSHRMEN1
SCHEMBL7433040 0.82 ALDH1A1 (0.67) BRD4ALDH1A1KDM4ELMNAHTT
SCHEMBL21043973 0.81 ALDH1A1 (0.55) BRD4ALDH1A1KDM4ELMNAHTT
SCHEMBL30576825 0.81 CHRM2 (0.52) ALDH1A1KDM4ELMNAHTTALOX15

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