SCHEMBL7315791

SCHEMBL7315791

CC(C)(C)C1(OC[C@H](N)C(=O)O)c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.49
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC1A5 Q15758 1/20 0.40
PDK2 Q15119 1/20 0.39
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38

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
SCHEMBL7323114 0.77 KIF11 (0.55) KIF11CYP1A2CYP2C19HIF1ASLC1A5
SCHEMBL7314907 0.77 KIF11 (0.55) KIF11CYP1A2CYP2C19HIF1ASLC1A5
SCHEMBL7322338 0.75 KIF11 (0.46) KIF11CYP1A2CYP2C19HIF1ASLC1A5
SCHEMBL7318407 0.75 KIF11 (0.59) KIF11CYP1A2CYP2C19HIF1ASLC1A5
SCHEMBL7391348 0.75 KIF11 (0.43) KIF11CYP1A2CYP2C19HIF1ASLC1A5
SCHEMBL7309988 0.73 KIF11 (0.46) KIF11CYP1A2CYP2C19HIF1ASLC1A5
SCHEMBL7326122 0.72 KIF11 (0.59) KIF11CYP1A2CYP2C19HIF1ASLC1A5
SCHEMBL7325201 0.72 CYP1A2 (0.59) KIF11CYP1A2CYP2C19HIF1ASLC1A5
SCHEMBL7326447 0.72 KIF11 (0.47) KIF11CYP1A2CYP2C19HIF1ASLC1A5
SCHEMBL7316648 0.72 KIF11 (0.42) KIF11CYP1A2CYP2C19HIF1ASLC1A5

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-6162824-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ALLELIX NEUROSCIENCE INC. 2000-12-19 US disclosed