SCHEMBL10789983

SCHEMBL10789983

CCCCCCCCOC(=O)NCCCOCCCNC(=O)OCCCCCCCC

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.79
EPHX1 P07099 2/20 0.59
EPHX2 P34913 2/20 0.58

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
SCHEMBL10599960 1.00 ACHE (0.79) ACHEEPHX1EPHX2
SCHEMBL10299548 0.95 ACHE (0.71) ACHEEPHX1EPHX2
SCHEMBL13700187 0.93 ACHE (0.73) ACHEEPHX1EPHX2
SCHEMBL19107903 0.92 ACHE (0.68) ACHEEPHX1EPHX2
SCHEMBL19107899 0.92 ACHE (0.68) ACHEEPHX1EPHX2
SCHEMBL30080535 0.91 ACHE (0.71) ACHEEPHX1EPHX2
SCHEMBL14209978 0.91 ACHE (0.66) ACHEEPHX1EPHX2
SCHEMBL25272657 0.91 ACHE (0.96) ACHEEPHX1EPHX2
SCHEMBL25224027 0.91 ACHE (0.89) ACHEEPHX1EPHX2
SCHEMBL25276709 0.91 ACHE (0.89) ACHEEPHX1EPHX2

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
US-4713476-A REACTING DI- OR POLYAMINE, UREA AND ALCOHOL BASF AKTIENGESELLSCHAFT (DE) 1987-12-15 US disclosed
US-4497963-A ETHYLENICALLY UNSATURADED POLYMERS BASF AKTIENGESELLSCHAFT (DE) 1985-02-05 US disclosed