SCHEMBL17574341

SCHEMBL17574341

COCOc1ccc(C(C)=O)c(O)c1C

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
GRM2 Q14416 2/20 0.46

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
SCHEMBL31643652 0.87 MAPT (0.51) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL3221392 0.86 MAPT (0.47) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL16242750 0.84 GRM2 (0.48) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL29996307 0.84 MAPT (0.44) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL18662462 0.84 MAPT (0.44) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL3660644 0.83 MAPT (0.66) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL23121012 0.83 MAPT (0.53) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL29996551 0.83 MAPT (0.53) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL16242633 0.82 GRM2 (0.50) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL10687937 0.81 SMN1; SMN2 (0.59) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170303574-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING SWEET TASTE CHROMOCELL CORPORATION (US) 2017-10-26 US disclosed
US-20170303574-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING SWEET TASTE CHROMOCELL CORPORATION (US) 2017-10-26 US disclosed
US-20170303574-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING SWEET TASTE CHROMOCELL CORPORATION (US) 2017-10-26 US disclosed
WO-2016036980-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING SWEET TASTE CHROMOCELL CORPORATION (US) 2016-03-10 WO disclosed