SCHEMBL12737261

SCHEMBL12737261

CCC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)C(=O)OCC1CO1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.40
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12756295 0.92 MGLL (0.40) MGLLCYP1A2
SCHEMBL10005671 0.86 ALDH1A1 (0.36) ALDH1A1
SCHEMBL14076815 0.85 MGLL (0.42) MGLLALDH1A1
SCHEMBL12756291 0.83 MGLL (0.44) MGLLALDH1A1
SCHEMBL27045609 0.83 MGLL (0.41) MGLL
SCHEMBL12640334 0.83 MGLL (0.41) MGLLALDH1A1
SCHEMBL14076811 0.81 MGLL (0.39) MGLL
SCHEMBL10033040 0.80 MGLL (0.39) MGLL
SCHEMBL12903612 0.79 EPHX1 (0.37)
SCHEMBL12737276 0.79 CHRM2 (0.46) CYP1A2ALDH1A1

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-20110089376-A1 DISPERSANT HAVING MULTIFUNCTIONAL HEAD AND PHOSPHOR PASTE COMPOSITION COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-04-21 US disclosed