SCHEMBL12640346

SCHEMBL12640346

CCN(CC)CCOC(=O)C(C)(CC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)O)C(=O)O)CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.50
CHRM1 P11229 5/20 0.50
CHRM3 P20309 5/20 0.50
CHRM4 P08173 3/20 0.50
CHRM5 P08912 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 4/20 0.45
CYP3A4 P08684 4/20 0.45
LMNA P02545 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
SCN1A P35498 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN3A Q9NY46 2/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
MTOR P42345 1/20 0.45

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
SCHEMBL14076816 0.98 CHRM2 (0.52) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL12737272 0.88 CHRM2 (0.50) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL14076817 0.87 CHRM2 (0.47) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL14448187 0.85 ALDH1A1 (0.39) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL25130150 0.84 ALDH1A1 (0.47) MEN1KMT2ACYP3A4LMNATSHR
SCHEMBL12640339 0.84 LMNA (0.50) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL10033038 0.83 KMT2A (0.44) MEN1KMT2ALMNARAB9AKDM4E
SCHEMBL12737276 0.82 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL12640344 0.82 CHRM2 (0.43) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL14076813 0.82 LMNA (0.52) CHRM2CHRM1CHRM3CHRM4CHRM5

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-7935272-B2 Display device; cathodoluminescence ; liquid crystal display; electroluminescence SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-03 US disclosed