SCHEMBL7438868

SCHEMBL7438868

CC(C)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.75
MAOB P27338 2/20 0.75
MAPT P10636 7/20 0.68
ALDH1A1 P00352 10/20 0.64
KDM4E B2RXH2 9/20 0.64
HPGD P15428 8/20 0.64
HSD17B10 Q99714 8/20 0.64
TSHR P16473 5/20 0.64
MAPK1 P28482 2/20 0.64
POLB P06746 2/20 0.61
APEX1 P27695 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MEN1 O00255 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
AR P10275 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL5618032 0.83 MAOB (0.77) MAOBAR
SCHEMBL5618481 0.81 MAOB (0.77) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5617810 0.80 NPC1 (0.76) TDP1MAOBALDH1A1KDM4EHPGD
SCHEMBL7427852 0.79 MAOB (0.63) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7440445 0.79 MAOB (0.63) MAOBAR
SCHEMBL7303229 0.78 TDP1 (0.60) TDP1MAOBMAPTALDH1A1KDM4E
SCHEMBL4708735 0.78 KDM4E (0.95) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10020983 0.78 TDP1 (0.96) TDP1MAOBMAPTALDH1A1KDM4E
SCHEMBL5617809 0.78 MAOB (0.68) MAOBRAB9AAR
SCHEMBL13556494 0.77 TDP1 (0.79) TDP1MAOBMAPTALDH1A1KDM4E

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-0363793-B1 ARYL ALKOXY COUMARINS, PROCESS FOR THEIR PRODUCTION AND THERAPEUTIC AGENTS CONTAINING THEM BASF Aktiengesellschaft (DE) 1993-04-21 EP disclosed
US-5100914-A Monoamine Oxidase Inhibitors, Central Nervous System Disorders BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
EP-0363793-A1 Aryl alkoxy coumarins, process for their production and therapeutic agents containing them BASF Aktiengesellschaft (DE) 1990-04-18 EP disclosed