SCHEMBL11064002

SCHEMBL11064002

CCC(OC(CCc1ccccc1)CCc1ccccc1)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MCL1 Q07820 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MC4R P32245 1/20 0.39
SLC6A3 Q01959 2/20 0.39
FKBP1A P62942 1/20 0.39
ABCB1 P08183 4/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL7244253 0.75 SIGMAR1 (0.45) SIGMAR1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL5163007 0.72 POLB (0.44) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12130607 0.70 MEN1 (0.43) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9791933 0.70 SIGMAR1 (0.50) SIGMAR1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL7250815 0.69 SLC6A4 (0.71) SIGMAR1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL1389099 0.69 CYP1A2 (0.41) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8971571 0.69 TSHR (0.43) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10887167 0.68 CYP1A2 (0.46) SIGMAR1CYP1A2CYP2C19
SCHEMBL27650693 0.68 SLC6A3 (0.53) SIGMAR1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL6186552 0.68 CYP1A2 (0.46) TSHRCYP1A2CYP3A4CYP2D6CYP2C19

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
US-4482573-A Diphenylalkanoether and diphenylalkanone oximeether derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-13 US disclosed