SCHEMBL17079111

SCHEMBL17079111

CCOC(C)(C)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.42
CA4 P22748 1/20 0.37
RIPK1 Q13546 1/20 0.36
PPARG P37231 4/20 0.35
TSHR P16473 2/20 0.35
KCNA3 P22001 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA7 P36544 2/20 0.34
CHRNA4 P43681 2/20 0.34
RELA Q04206 1/20 0.34
PPARA Q07869 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 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
SCHEMBL9784314 0.83 LTA4H (0.42) LTA4HCA4RIPK1PPARGTSHR
SCHEMBL10447796 0.83 LTA4H (0.42) LTA4HCA4RIPK1PPARGTSHR
SCHEMBL1660600 0.81 CA4 (0.48) LTA4HCA4RIPK1PPARGTSHR
SCHEMBL15984208 0.81 ACHE (0.39) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL15509337 0.81 LTA4H (0.41) LTA4HCA4RIPK1PPARGTSHR
SCHEMBL25429529 0.79 LTA4H (0.39) LTA4HCA4RIPK1PPARGTSHR
SCHEMBL11661687 0.79 LTA4H (0.39) LTA4HCA4RIPK1PPARGTSHR
SCHEMBL6040935 0.79 LTA4H (0.39) LTA4HCA4RIPK1PPARGTSHR
SCHEMBL23605964 0.79 ALDH1A1 (0.40) TSHRCHRNA7PPARAL3MBTL1MAPK1
SCHEMBL15510109 0.79 LTA4H (0.39) LTA4HCA4RIPK1PPARGTSHR

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-3116598-A1 DETERGENT COMPOSITION The Procter & Gamble Company (US) 2017-01-18 EP disclosed
WO-2015138576-A1 DETERGENT COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2015-09-17 WO disclosed