SCHEMBL5170679

SCHEMBL5170679

O=C1C=CCC1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.49
PSEN2 P49810 7/20 0.49
APH1B Q8WW43 7/20 0.49
NCSTN Q92542 7/20 0.49
APH1A Q96BI3 7/20 0.49
PSENEN Q9NZ42 7/20 0.49
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
MAOB P27338 1/20 0.42
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC8 Q9BY41 2/20 0.38
TLR9 Q9NR96 1/20 0.38

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
Water SCHEMBL5166797 0.98 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Ether SCHEMBL5166791 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10280608 0.78 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10435329 0.76 DDB1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7639944 0.74 MAOB (0.44) DDB1CRBNMAOBHSD11B1ALDH1A1
SCHEMBL29013938 0.73 DDB1 (0.52) DDB1CRBNMAOBHSD11B1ALDH1A1
SCHEMBL6399482 0.72 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6399488 0.72 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6403374 0.72 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6403368 0.72 PSEN1 (0.41) 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-1103255-B1 METHOD OF REARING AND FEEDS TAKARA BIO INC (JP) 2007-05-02 EP disclosed
US-4540825-A REARRANGEMENT OF 4-CYCLOPENTENONES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-10 US disclosed