SCHEMBL22642173

SCHEMBL22642173

CCC(C)(CC)CC(C(=O)OCCCCO)C(C)(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
ACHE P22303 6/20 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
SCHEMBL12783174 0.87 ALDH1A1 (0.41) ACHE
SCHEMBL14699610 0.72
SCHEMBL13813028 0.69 CYP4F2 (0.35) CYP4F2CYP4A11ACHE
SCHEMBL18535321 0.69 CA1 (0.32)
SCHEMBL12784234 0.68 ACHE (0.31) ACHE
SCHEMBL10044204 0.67 CYP4F2 (0.55) CYP4F2CYP4A11ACHE
SCHEMBL18668877 0.66 ACHE (0.46) CYP4F2CYP4A11ACHE
SCHEMBL12794922 0.66 CYP4F2 (0.58) CYP4F2CYP4A11ACHE
SCHEMBL14354544 0.66 MMP8 (0.35) CYP4F2CYP4A11
SCHEMBL22020004 0.66 MMP3 (0.32)

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
EP-2861677-B1 ADDITIVE COMPRISING LOW SURFACE ENERGY GROUP AND HYDROXYL GROUPS AND COATING COMPOSITIONS 3M INNOVATIVE PROPERTIES CO (US) 2020-11-11 EP disclosed