SCHEMBL4369434

SCHEMBL4369434

COc1ccc(CSc2ccc(CC(C)=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.62
MAOB P27338 3/20 0.57
MAOA P21397 2/20 0.57
MAPT P10636 2/20 0.52
HDAC3 O15379 1/20 0.52
NCOR1 O75376 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
DAO P14920 1/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MCL1 Q07820 1/20 0.47
FFAR1 O14842 1/20 0.47
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.46
CTBP2 P56545 1/20 0.45

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
SCHEMBL48525 0.85 HTT (0.66) MAPTHTTPOLBSMN1; SMN2ALDH1A1
SCHEMBL3228582 0.85 APP (0.82) APPMAOBMAOAHDAC3NCOR1
SCHEMBL28709451 0.85 HTT (0.66) MAPTHTTPOLBSMN1; SMN2ALDH1A1
SCHEMBL11698478 0.84 APP (0.62) APPMAOBMAOAMAPTHDAC3
SCHEMBL7152142 0.82 SLC6A4 (0.53) MAOBMAOAHDAC3NCOR1HDAC1
SCHEMBL2707629 0.81 FFAR1 (0.68) APPMAOBMAOAMAPTHDAC3
SCHEMBL9475495 0.80 APP (0.70) APPMAOBMAOAMAPTHDAC3
SCHEMBL9262585 0.80 HTT (0.59) MAPTHTTPOLBSMN1; SMN2ALDH1A1
SCHEMBL7149097 0.80 HTT (0.59) MAPTHTTPOLBSMN1; SMN2ALDH1A1
SCHEMBL19059386 0.80 APP (0.74) APPMAOBMAOAHDAC3NCOR1

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-2025672-A1 SEVEN-MEMBERED RING COMPOUND, PRODUCTION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2009-02-18 EP disclosed