SCHEMBL7303229

SCHEMBL7303229

CC(C)c1cc(COc2ccc3c4c(c(=O)oc3c2)CCCC4)nn1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.60
MAOB P27338 2/20 0.60
ALDH1A1 P00352 11/20 0.56
KDM4E B2RXH2 9/20 0.56
MAPT P10636 8/20 0.56
HPGD P15428 8/20 0.56
HSD17B10 Q99714 7/20 0.56
TSHR P16473 5/20 0.56
MAPK1 P28482 2/20 0.56
POLB P06746 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
APEX1 P27695 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
BCHE P06276 1/20 0.52

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
SCHEMBL7302386 0.85 MAOB (0.58) MAOBACHE
SCHEMBL7302076 0.81 MAOB (0.61) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7301258 0.80 MAOB (0.48) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7438868 0.78 TDP1 (0.75) TDP1MAOBALDH1A1KDM4EMAPT
SCHEMBL7305804 0.76 MAOB (0.44) MAOBACHE
SCHEMBL7304086 0.74 SLC26A3 (0.43) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7303152 0.73 ACHE (0.59) MAOBALDH1A1KDM4EHPGDRAB9A
SCHEMBL4708735 0.72 KDM4E (0.95) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL7300401 0.72 TDP1 (0.62) TDP1MAOBALDH1A1KDM4EMAPT
SCHEMBL15971987 0.72 ALDH1A1 (0.75) TDP1MAOBALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363796-B1 HETEROCYCLICALLY SUBSTITUTED ALKOXYCOUMARINES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL AGENTS CONTAINING SAME BASF Aktiengesellschaft (DE) 1993-08-11 EP disclosed
US-5073563-A Enzyme inhibitors, CNS BASF AKTIENGESELLSCHAFT (DE) 1991-12-17 US disclosed
EP-0363796-A1 Heterocyclically substituted alkoxycoumarines, method for their preparation and therapeutical agents containing same BASF Aktiengesellschaft (DE) 1990-04-18 EP disclosed