SCHEMBL28041541

SCHEMBL28041541

COCO[C@@H](C)C(NC(=O)O)c1ccccc1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
TSHR P16473 1/20 0.35
ABCB1 P08183 1/20 0.34
CACNA1C Q13936 2/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL28041588 0.85 CNR2 (0.41) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL28041525 0.85 CTSA (0.39) MEN1KMT2APOLBALDH1A1
SCHEMBL16054823 0.84 KEAP1 (0.37) TSHRMAPTL3MBTL1LMNAGAA
SCHEMBL28041750 0.84 KEAP1 (0.37) TSHRMAPTL3MBTL1LMNAGAA
SCHEMBL28041589 0.84 ABCB1 (0.37) KDM4ETSHRABCB1CACNA1CMAPT
SCHEMBL28990776 0.82 ABCB1 (0.36) KDM4ETSHRABCB1LMNAMEN1
SCHEMBL16054222 0.76 KEAP1 (0.36) TSHRMAPTLMNAGAAMEN1
SCHEMBL28990602 0.75 POLB (0.34) TSHRL3MBTL1LMNAMEN1KMT2A
SCHEMBL28990510 0.75 CYP19A1 (0.30)
SCHEMBL28990631 0.75 CYP19A1 (0.30)

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