SCHEMBL28041553

SCHEMBL28041553

COC[C@H](c1ccccc1I)C(C)(C)OC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.30

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
SCHEMBL28041748 0.90 TSHR (0.31) LMNAGAA
SCHEMBL28041747 0.87 ALDH1A1 (0.31) SMN1; SMN2KDM4ELMNAALDH1A1TDP1
SCHEMBL28823976 0.85
SCHEMBL28041560 0.84
SCHEMBL28041724 0.82
SCHEMBL28823849 0.81 TRPA1 (0.34)
SCHEMBL28990702 0.74 CYP1A2 (0.35) CYP1A2SMN1; SMN2KDM4ELMNACYP2D6
SCHEMBL28041593 0.74 ADRB2 (0.39) KDM4ELMNACYP2D6ALDH1A1GAA
SCHEMBL28041742 0.74 ALDH1A1 (0.38) SMN1; SMN2KDM4ELMNAPKMALDH1A1
SCHEMBL28041725 0.74 ADRB2 (0.39) KDM4ELMNACYP2D6ALDH1A1GAA

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
CN-105209027-A Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epilepsy-related syndromes BIO PHARM SOLUTIONS CO LTD 2015-12-30 CN disclosed