SCHEMBL28041750

SCHEMBL28041750

COC(C)C(NC(=O)O)c1ccccc1I

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL16054823 1.00 KEAP1 (0.37) KEAP1NFE2L2KMT2ATSHRMAPT
SCHEMBL28041541 0.84 KDM4E (0.36) KEAP1NFE2L2KMT2ATSHRMAPT
SCHEMBL15067314 0.83 POLB (0.41) KMT2A
SCHEMBL28041534 0.83 MEN1 (0.45) KMT2ALMNAGAAALDH1A1
SCHEMBL16054222 0.82 KEAP1 (0.36) KEAP1NFE2L2KMT2ATSHRMAPT
SCHEMBL28990602 0.81 POLB (0.34) KEAP1NFE2L2KMT2ATSHRL3MBTL1
SCHEMBL28041542 0.79 POLB (0.38) KMT2ATSHRLMNAALDH1A1HPGD
SCHEMBL27992292 0.75 TRPA1 (0.37) KMT2ATSHRLMNAGAAALDH1A1
SCHEMBL28041589 0.74 ABCB1 (0.37) KMT2ATSHRMAPTL3MBTL1LMNA
SCHEMBL27992397 0.73 POLB (0.39) LMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104136416-B Phenylalkylamino carbamate derivatives compound and comprise the pharmaceutical composition of this Phenylalkylamino carbamate derivatives compound 比皮艾思药物研发有限公司 2016-11-09 CN disclosed
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