SCHEMBL8694366

SCHEMBL8694366

CCCC(=O)CC(=O)OC(CC)(NC(N)=O)OC(=O)CC(=O)CCC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CTSD P07339 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
SCHEMBL8399689 0.86 TDP1 (0.31)
SCHEMBL8394430 0.81 MGAM (0.40)
SCHEMBL6415291 0.72 ALDH1A1 (0.41) ALDH1A1CTSD
SCHEMBL28118525 0.70 ALOX15 (0.32)
SCHEMBL8398180 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL27799609 0.68 ALDH1A1 (0.37) ALDH1A1CTSD
SCHEMBL647475 0.67 TSHR (0.52) ALDH1A1CTSD
SCHEMBL28300235 0.66 ALDH1A1 (0.34) ALDH1A1
SCHEMBL28132816 0.65 ALDH1A1 (0.46) ALDH1A1CTSD
SCHEMBL9548176 0.65 TSHR (0.50) ALDH1A1CTSD

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
US-5852028-A Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions SIGNAL PHARMACEUTICALS, INC. (US) 1998-12-22 US disclosed