SCHEMBL6536190

SCHEMBL6536190

CCCC(F)c1cc(C)cc(C(F)CCC)c1O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
SELE P16581 1/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL1979153 0.91 ALDH1A1 (0.38) SELLSELPSELETP53CYP2D6
SCHEMBL1246437 0.79 LMNA (0.42) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL11779177 0.78 CA2 (0.37) SELLSELPSELETP53CYP2D6
SCHEMBL15541782 0.76 LMNA (0.53) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL14493502 0.73 ALOX15 (0.46) SELLSELPSELETP53CYP2D6
SCHEMBL6065582 0.73 CYP2C9 (0.39) SELLSELPSELETP53CYP2D6
SCHEMBL17265722 0.73 CA1 (0.47) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL13640212 0.73 CA1 (0.47) CA2CA1
SCHEMBL29358673 0.71 ALOX15 (0.47) SELLSELPSELETP53CYP2D6
SCHEMBL39508 0.71 ALOX15 (0.47) SELLSELPSELETP53CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446394-A1 NOVEL 1,2,4−THIADIAZOLE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical Corp. (US) 2004-08-18 EP disclosed
EP-1444215-A1 NOVEL 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical Corp. (US) 2004-08-11 EP disclosed
WO-2003040118-A1 NOVEL 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-05-15 WO disclosed
WO-2003040117-A1 NOVEL 1,2,4-THIADIAZOLE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 2003-05-15 WO disclosed
EP-1093487-A1 OXYGEN SCAVENGING COMPOSITION AND METHOD OF USING SAME Cryovac, Inc. (US) 2001-04-25 EP disclosed
WO-2000000538-A1 OXYGEN SCAVENGING COMPOSITION AND METHOD OF USING SAME CRYOVAC, INC. (US) 2000-01-06 WO disclosed