SCHEMBL25536

SCHEMBL25536

O=C1CCC1OOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
TSHR P16473 1/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
IDO1 P14902 1/20 0.35
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL1797263 0.82 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22749632 0.82 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7461849 0.76 CYP3A4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8879727 0.74 TSHR (0.46) TSHRIDO1NPC1RAB9A
SCHEMBL25197523 0.72 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1810756 0.72 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30927142 0.72 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3809154 0.71 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29014615 0.70 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29631723 0.70 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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-2388017-A2 Catalytic radiofluorination The General Hospital Corporation (US) 2011-11-23 EP disclosed
US-8040117-B2 Closed loop negative feedback system with low frequency modulated gain FLEXTRONICS AP, LLC (US) 2011-10-18 US disclosed