SCHEMBL27914735

SCHEMBL27914735

CCC(C)OC(=O)C(C)=CC1C2CC3CC(C2)CC1C3

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.34
TDP1 Q9NUW8 1/20 0.31
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
SCHEMBL3152896 0.86 TSHR (0.34) EPHX2TDP1
SCHEMBL451262 0.78 GLO1 (0.38) EPHX2L3MBTL1
SCHEMBL1825320 0.78 L3MBTL1 (0.31) L3MBTL1
SCHEMBL1271396 0.76 L3MBTL1 (0.33) L3MBTL1
SCHEMBL283708 0.76 EPHX2 (0.33) EPHX2L3MBTL1
SCHEMBL1821536 0.76 HSD11B1 (0.36) EPHX2L3MBTL1
SCHEMBL5893939 0.73 ALDH1A1 (0.41) EPHX2L3MBTL1
SCHEMBL12003305 0.72 EPHX2 (0.32) EPHX2
SCHEMBL17088053 0.71 FAAH (0.36) L3MBTL1
SCHEMBL6329862 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102976891-B Process for producing asymmetric tertiary alcohol and (meth) acrylic ester DAICEL CORP. (JP) 2016-02-10 CN disclosed
CN-105111043-A Method for preparing asymmetric tertiary alcohol and (methyl) acrylic ester DAICEL LTD 2015-12-02 CN disclosed
CN-102976891-A Process for producing asymmetric tertiary alcohol and (meth) acrylic ester DAICEL LTD 2013-03-20 CN disclosed