SCHEMBL8711865

SCHEMBL8711865

OCCn1c2ccccc2c2ccc(OCC=C3CC4CCN3CC4)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 15/20 0.39
▸ PSEN2 P49810 15/20 0.39
▸ APH1B Q8WW43 15/20 0.39
▸ NCSTN Q92542 15/20 0.39
▸ APH1A Q96BI3 15/20 0.39
▸ PSENEN Q9NZ42 15/20 0.39
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PRSS1 P07477 1/20 0.33

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
SCHEMBL8711929 0.90 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8715050 0.89 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8714183 0.88 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8714523 0.88 PTGER4 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8714508 0.87 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8711493 0.87 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8715733 0.86 CYP19A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8711699 0.85 HPGD (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8714405 0.85 HPGD (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8901569 0.80 PSEN1 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5830902-A SQUALENE SYNTHASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-03 — — US disclosed
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