SCHEMBL18308552

SCHEMBL18308552

CCC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)OC1CCOC1=O)C(=O)OC1CCOC1=O)C(=O)OC1CCOC1=O)C(=O)OC1CCOC1=O)C(=O)OC1CCOC1=O)C(=O)OC1CCOC1=O)C(=O)OC1CCOC1=O)C(=O)OC1CCOC1=O)C(=O)OC1CCOC1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.39
MAPK1 P28482 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
FKBP1A P62942 2/20 0.36
TSHR P16473 2/20 0.35

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
SCHEMBL10186545 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL11986002 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL14750834 0.97 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL14085990 0.90 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL12973914 0.88 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL47499 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL18068949 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL12997169 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL14253582 0.83 KDM4E (0.35) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL18202429 0.83 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10POLB

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-20160363860-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2016-12-15 US disclosed