SCHEMBL11271444

SCHEMBL11271444

N#CCC(CCc1ccccc1)CCc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PLAAT3 P53816 2/20 0.37
PLAAT5 Q96KN8 2/20 0.37
PLAAT2 Q9NWW9 2/20 0.37
PLAAT4 Q9UL19 2/20 0.37
DRD4 P21917 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7937670 0.79 CTSC (0.43) SIGMAR1
SCHEMBL11274557 0.77 PPARG (0.50) PPARGPPARASIGMAR1MEN1KMT2A
SCHEMBL11274224 0.76 PPARG (0.49) PPARGPPARASIGMAR1MEN1KMT2A
SCHEMBL8938075 0.73 CCR1 (0.47) PPARGPPARAMEN1KMT2ASLC6A2
SCHEMBL31447805 0.73 CCR1 (0.44) PPARGPPARAMEN1KMT2ASLC6A2
SCHEMBL8196751 0.73 SIGMAR1 (0.58) SIGMAR1MEN1KMT2ALMNAALDH1A1
SCHEMBL112302 0.72 POLB (0.45) MEN1KMT2AALDH1A1HTTCYP1A2
SCHEMBL27703897 0.72 ANPEP (0.44) TAAR1
SCHEMBL4980139 0.72 DPP4 (0.45) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL11188168 0.71 SIGMAR1 (0.56) SIGMAR1MEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064244-A1 Spermicidal 1-bis(arylalkyl)alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-11-10 EP disclosed