SCHEMBL20016009

SCHEMBL20016009

CC(C)(C)C(=O)OCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
EPHX2 P34913 2/20 0.36
EPHX1 P07099 1/20 0.35
PRKCA P17252 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN9A Q15858 3/20 0.32
FKBP1A P62942 1/20 0.31

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
SCHEMBL685915 0.86 HSD11B1 (0.40) HSD11B1EPHX2EPHX1ANO1L3MBTL1
SCHEMBL12406391 0.79 HSD11B1 (0.47) HSD11B1EPHX2L3MBTL1SCN9A
SCHEMBL17752167 0.78 ALDH1A1 (0.36) HSD11B1
SCHEMBL14648422 0.77 ALDH1A1 (0.36) HSD11B1PRKCA
SCHEMBL16487733 0.76 FKBP1A (0.36) HSD11B1EPHX2EPHX1PRKCAL3MBTL1
SCHEMBL686458 0.75 HSD11B1 (0.37) HSD11B1L3MBTL1SCN9A
SCHEMBL21422702 0.74 ENO1 (0.34) EPHX2EPHX1PRKCAFKBP1A
SCHEMBL17740674 0.74 MEN1 (0.39) EPHX2L3MBTL1SCN9A
SCHEMBL1061355 0.73 ALDH1A1 (0.51) HSD11B1EPHX2L3MBTL1SCN9A
SCHEMBL11946890 0.73 HSD11B1 (0.35) HSD11B1EPHX2EPHX1L3MBTL1

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-20180088073-A1 GAS SENSOR AND METHOD OF MANUFACTURE THEREOF ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-03-29 US disclosed