SCHEMBL12640339

SCHEMBL12640339

CCN(CC)CC(O)COC(=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
LMNA P02545 1/20 0.50
ABCB1 P08183 4/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.35
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
PLK1 P53350 2/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL14076813 0.98 LMNA (0.52) LMNAABCB1TSHRPOLBNPC1
SCHEMBL12640346 0.84 CHRM2 (0.50) LMNATSHRPOLBCHRM2CHRM1
SCHEMBL14076816 0.82 CHRM2 (0.52) LMNATSHRPOLBCHRM2CHRM1
SCHEMBL25130150 0.81 ALDH1A1 (0.47) LMNATSHRMAPTCYP3A4L3MBTL1
SCHEMBL12640330 0.81 LMNA (0.45) LMNAABCB1TSHRPOLBNPC1
SCHEMBL12737262 0.80 LMNA (0.40) LMNAABCB1POLBADRB2ADRB1
SCHEMBL10033038 0.80 KMT2A (0.44) LMNANPC1MAPTL3MBTL1
SCHEMBL16706570 0.77 ALDH1A1 (0.46) LMNATSHRMAPTCYP3A4L3MBTL1
SCHEMBL16706567 0.77 ALDH1A1 (0.46) LMNATSHRMAPTCYP3A4L3MBTL1
SCHEMBL14448187 0.77 ALDH1A1 (0.39) LMNATSHRMAPTCHRM2CHRM1

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