SCHEMBL7686972

SCHEMBL7686972

c1ccc2c(c1)CC(C1OCCCO1)C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.35
TSHR P16473 1/20 0.33
PLAU P00749 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 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
SCHEMBL7687506 0.91 IDO1 (0.38) IDO1PLAUPSEN1PSEN2APH1B
SCHEMBL7089075 0.76 PSEN1 (0.36) PLAUPSEN1PSEN2APH1BNCSTN
SCHEMBL28038452 0.72 CHRM2 (0.40) TSHR
SCHEMBL6875865 0.70 IDO1 (0.39) IDO1TSHRPLAUPSEN1PSEN2
SCHEMBL6875859 0.70 IDO1 (0.39) IDO1TSHRPLAUPSEN1PSEN2
SCHEMBL14990041 0.69 PLAU (0.44) IDO1TSHRPLAUPSEN1PSEN2
SCHEMBL14760073 0.69 PLAU (0.44) IDO1TSHRPLAUPSEN1PSEN2
SCHEMBL29949831 0.69 PLAU (0.44) IDO1TSHRPLAUPSEN1PSEN2
SCHEMBL11319810 0.68 HTR2A (0.40)
SCHEMBL7685203 0.68 L3MBTL1 (0.38) IDO1PSEN1PSEN2APH1BNCSTN

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
US-6362141-B1 ORGANOLEPTIC; PERFUMES, COSMETICS, CLEANING COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-03-26 US claimed
US-6342612-B1 FRAGRANCES INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-01-29 US claimed