SCHEMBL7604764

SCHEMBL7604764

NC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.53
SLC1A5 Q15758 1/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
DNMT1 P26358 1/20 0.45
IDO1 P14902 1/20 0.45

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
SCHEMBL31236607 1.00 KIF11 (0.53) KIF11SLC1A5ALPIPKMPTGS1
SCHEMBL7190272 1.00 KIF11 (0.53) KIF11SLC1A5ALPIPKMPTGS1
SCHEMBL2306702 0.87 KIF11 (0.48) KIF11
SCHEMBL31503681 0.83 KIF11 (0.51) KIF11
SCHEMBL2027932 0.83 KIF11 (0.58) KIF11ALPIPKMPTGS1XIAP
SCHEMBL2027930 0.83 KIF11 (0.58) KIF11ALPIPKMPTGS1XIAP
SCHEMBL2561548 0.83 KIF11 (0.46) KIF11
SCHEMBL3721414 0.81 KIF11 (0.42) KIF11SLC7A5
SCHEMBL3721416 0.81 KIF11 (0.42) KIF11SLC7A5
SCHEMBL23216478 0.80 TK1 (0.45) KIF11

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-1088020-B1 FUNCTIONALISED POLYMERS OF ALPHA-AMINO ACIDS AND THE METHOD OF PREPARATION THEREOF USTAV MAKROMOLEKULARNI CHEMIE (CZ) 2002-12-18 EP claimed