SCHEMBL11549786

SCHEMBL11549786

O=C1C=CC(OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.45
PSEN2 P49810 5/20 0.45
APH1B Q8WW43 5/20 0.45
NCSTN Q92542 5/20 0.45
APH1A Q96BI3 5/20 0.45
PSENEN Q9NZ42 5/20 0.45
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
PDPK1 O15530 1/20 0.39
MTOR P42345 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSK P43235 2/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CTSV O60911 1/20 0.38
CTSS P25774 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
SCHEMBL31305254 0.76 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31411110 0.74 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11440021 0.74 TSHR (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7668354 0.71 TSHR (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19520977 0.71 GPBAR1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17877421 0.71 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11316216 0.71 ALDH1A1 (0.42) NFKB1NFKB2RELACYP2C19TSHR
SCHEMBL20878186 0.71 ALDH1A1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL425330 0.71 CTSL (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28778158 0.69 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4132726-A INTERMEDIATES FOR PROSTAGLANDIN COMPOUNDS TEIJIN LIMITED (JP) 1979-01-02 US disclosed