SCHEMBL9845239

SCHEMBL9845239

CCOC(OC(OCC)(c1ccccc1)c1ccc(Cl)cc1)(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
HTR1A P08908 2/20 0.41
ADRA2A P08913 2/20 0.41
CHRM1 P11229 2/20 0.41
DRD1 P21728 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
OPRM1 P35372 2/20 0.41
DRD3 P35462 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
TBXA2R P21731 1/20 0.41
ACHE P22303 1/20 0.41
KIF11 P52732 3/20 0.41
BCL2 P10415 1/20 0.40
TK2 O00142 3/20 0.39
TSHR P16473 2/20 0.38
SLC22A1 O15245 1/20 0.38

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
SCHEMBL7053535 0.80 KCNN4 (0.43) KIF11TSHRTP53CYP3A4CYP2D6
SCHEMBL10334690 0.75 CYP3A4 (0.46) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL3809918 0.73 KCNN4 (0.38) KIF11CYP3A4CYP2D6SIGMAR1KMT2A
SCHEMBL11043029 0.71 TRPA1 (0.45) KIF11TSHRTP53CYP3A4CYP2D6
SCHEMBL9576889 0.70 KCNN4 (0.35) KIF11CYP3A4CYP2D6KMT2ALMNA
SCHEMBL11032766 0.70 CYP3A4 (0.42) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL23079041 0.70 BCL2 (0.45) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL8549561 0.69 CYP19A1 (0.42) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL27662558 0.69 MEN1 (0.45) BCL2TSHRCYP3A4HTR2AKMT2A
SCHEMBL17420798 0.69 TSHR (0.44) KIF11TSHRCYP3A4CYP2D6LMNA

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-0408339-A2 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-01-16 EP disclosed