SCHEMBL25633729

SCHEMBL25633729

CC1CC2CC(C)C(OC(=O)CC(O)(CC(=O)OC3C4CC5CC(C4)CC3C5)C(=O)OC3C4CC5CC(C4)CC3C5)C(C1)C2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
HSD11B1 P28845 4/20 0.32
CYP2C9 P11712 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
SCHEMBL25098209 1.00 EPHX1 (0.33) EPHX1HSD11B1CYP2C9
SCHEMBL22960802 0.86
SCHEMBL21256966 0.86 EPHX1 (0.41) EPHX1HSD11B1CYP2C9
SCHEMBL21256965 0.86 EPHX1 (0.37) EPHX1HSD11B1
SCHEMBL12065392 0.73 HSD11B1 (0.34) EPHX1HSD11B1
SCHEMBL14793088 0.71 HSD11B1 (0.33) EPHX1HSD11B1
SCHEMBL19185373 0.71 HSD11B1 (0.49) EPHX1HSD11B1CYP2C9
SCHEMBL28524746 0.71 ALDH1A1 (0.47) EPHX1HSD11B1
SCHEMBL21392341 0.68 HSD11B1 (0.31) HSD11B1
SCHEMBL12609273 0.68 HSD11B1 (0.31) HSD11B1

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
EP-3752588-B1 ANTI-WEAR COMPOSITION FOR LUBRICANTS LANXESS CORP (US) 2023-06-14 EP disclosed
EP-4144823-A1 ANTI-WEAR COMPOSITION FOR LUBRICANTS Lanxess Corporation (US) 2023-03-08 EP disclosed