SCHEMBL28524746

SCHEMBL28524746

O=C(O)CC(O)(CC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
EPHX1 P07099 1/20 0.39
HSD11B1 P28845 7/20 0.37
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
FKBP1A P62942 1/20 0.31
EPHX2 P34913 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
SCHEMBL21256966 0.82 EPHX1 (0.41) EPHX1HSD11B1FKBP1AEPHX2
SCHEMBL18585777 0.77 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL2597610 0.77 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL6665252 0.77 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL19185373 0.75 HSD11B1 (0.49) EPHX1HSD11B1FKBP1AEPHX2
SCHEMBL18394602 0.74 EPHX1 (0.46) EPHX1HSD11B1EPHX2
Citric Acid SCHEMBL29822589 0.71 ALDH1A1 (0.94) ALDH1A1KDM4ELMNAMAPTALOX15
Citric Acid SCHEMBL31626766 0.71 ALDH1A1 (0.94) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL27351141 0.70 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL144692 0.69 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAMAPTALOX15

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
CN-112368360-B Wear resistant composition for lubricants 朗盛公司 2022-09-06 CN disclosed
CN-112368360-A Wear resistant composition for lubricants 朗盛公司 2021-02-12 CN disclosed