SCHEMBL8464740

SCHEMBL8464740

C=CCc1c(OCc2ccccc2)ccc(C(C)=O)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MAOB P27338 2/20 0.50
CYSLTR1 Q9Y271 3/20 0.45
GRM2 Q14416 3/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
CTSD P07339 1/20 0.43
BRD4 O60885 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
NFKB1 P19838 1/20 0.41
PPARG P37231 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL9578104 0.88 MAPT (0.64) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL28350864 0.86 CTSD (0.52) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL17694446 0.85 MEN1 (0.50) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL9123233 0.84 MAPT (0.71) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL9120538 0.82 MAPT (0.67) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL8465903 0.81 MAPT (0.70) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL11396021 0.81 MAOB (0.50) MAPTCYP2C9L3MBTL1MAOBCYSLTR1
SCHEMBL5516591 0.81 MAPT (0.56) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL5516584 0.81 MAPT (0.56) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL10765338 0.80 SRD5A1 (0.43) 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
EP-0682662-B1 BICYCLIC CARBOXYLIC ACID LEUKOTRIENE B4 ANTAGONISTS HOFFMANN LA ROCHE (CH) 1999-08-18 EP disclosed
EP-0682662-A1 BICYCLIC CARBOXYLIC ACID LEUKOTRIENE B 4? ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-11-22 EP disclosed
US-5457124-A Antiinflammatory agent HOFFMANN-LA ROCHE INC. (US) 1995-10-10 US disclosed
WO-1995015956-A1 BICYCLIC CARBOXYLIC ACID LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-06-15 WO disclosed