SCHEMBL28041589

SCHEMBL28041589

CCC(OCOC)C(NC(=O)O)c1ccccc1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.37
TSHR P16473 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN9A Q15858 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 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
SCHEMBL28990776 0.90 ABCB1 (0.36) ABCB1TSHRCYP3A4CYP2C19KDM4E
SCHEMBL28990602 0.87 POLB (0.34) TSHRCYP3A4CYP2C19L3MBTL1POLB
SCHEMBL28041744 0.86 CASP1 (0.40) MEN1KMT2A
SCHEMBL28041751 0.86 GAA (0.40) ABCB1POLBMEN1KMT2ALMNA
SCHEMBL28041541 0.84 KDM4E (0.36) ABCB1TSHRCA12CA1CA2
SCHEMBL28041542 0.79 POLB (0.38) TSHRCYP3A4CYP2C19POLBMEN1
SCHEMBL27992292 0.76 TRPA1 (0.37) TSHRCYP3A4CYP2C19KDM4EPOLB
SCHEMBL15080170 0.75 CTSL (0.32) ABCB1
SCHEMBL15080118 0.75 PPARG (0.42)
SCHEMBL15080103 0.74 CYP1A2 (0.32) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111419830-B Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epileptic related syndromes 比皮艾思药物研发有限公司 2024-01-30 CN disclosed
CN-115996905-A Phenylalkyl carbamate compounds for use in preventing or treating neurodegenerative diseases 生物药品解决方案有限公司 2023-04-21 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