SCHEMBL12796458

SCHEMBL12796458

CCC(C)C(=O)CCOC(=O)C(C)CC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12796462 0.88 ALDH1A1 (0.34)
SCHEMBL13667079 0.84 ALDH1A1 (0.37) HSD17B10
SCHEMBL2681430 0.83 CYP1A2 (0.41) HSD17B10KMT2AL3MBTL1
SCHEMBL13687549 0.83 CYP1A2 (0.41) HSD17B10KMT2AL3MBTL1
SCHEMBL13695048 0.80 HSD17B10 (0.36) HSD17B10KDM4EKMT2AL3MBTL1
SCHEMBL805664 0.79 HCAR2 (0.40) HSD17B10KDM4EKMT2A
SCHEMBL805650 0.79 HCAR2 (0.40) HSD17B10KDM4EKMT2A
SCHEMBL17617139 0.79 HCAR2 (0.40) HSD17B10KDM4EKMT2A
SCHEMBL16543414 0.79 CYP1A2 (0.44) HSD17B10KMT2AL3MBTL1
SCHEMBL12532804 0.79 TSHR (0.46) HSD17B10KDM4EKMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8701763-B2 Methods for treating hydrocarbon-bearing formations having brine 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-22 US disclosed
US-20110056689-A1 METHODS FOR TREATING HYDROCARBON-BEARING FORMATIONS HAVING BRINE 3M INNOVATIVE PROPERTIES COMPANY 2011-03-10 US disclosed