SCHEMBL28504331

SCHEMBL28504331

O=C(O)CCCC(C(=O)O)C1CCCCC1C(CCCC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
FOLH1 Q04609 1/20 0.38
EPHX2 P34913 1/20 0.38
ENPEP Q07075 2/20 0.37
GSTK1 Q9Y2Q3 2/20 0.37
LMNA P02545 3/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
BBOX1 O75936 2/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL2403226 0.83 ALDH1A1 (0.46) ALDH1A1FOLH1EPHX2ENPEPLMNA
SCHEMBL28655524 0.81 FOLH1 (0.31) FOLH1ENPEPGSTK1
SCHEMBL28460628 0.79 BLM (0.40)
SCHEMBL8433013 0.77 EPHX1 (0.46) ALDH1A1EPHX2GSTK1LMNATSHR
SCHEMBL27503119 0.76 SLC6A3 (0.38) ALDH1A1LMNATSHR
SCHEMBL28654550 0.76 FFAR4 (0.34) ALDH1A1ENPEPGSTK1LMNATSHR
SCHEMBL774592 0.74 LMNA (0.43) ALDH1A1ENPEPGSTK1LMNATSHR
SCHEMBL27965682 0.74 ALDH1A1 (0.46) ALDH1A1LMNASLC22A6TSHR
SCHEMBL27965679 0.74 ALDH1A1 (0.46) ALDH1A1LMNASLC22A6TSHR
SCHEMBL18528957 0.73 FOLH1 (0.38) FOLH1ENPEPGSTK1LMNASLC22A6

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-114369028-B Plasticizer with ether chain and modified asphalt thereof 苏州科技大学 2024-07-23 CN disclosed
CN-107417523-B Preparation method of cyclohexane-1, 2-diformate plasticizer 河南应用技术职业学院 2020-12-22 CN disclosed