SCHEMBL28041747

SCHEMBL28041747

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

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PPARG P37231 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 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 0.93 TSHR (0.31) LMNAGAATSHR
SCHEMBL28041724 0.88
SCHEMBL28041553 0.87 CYP1A2 (0.33) ALDH1A1KDM4ELMNASMN1; SMN2TDP1
SCHEMBL28823976 0.86
SCHEMBL28041560 0.85
SCHEMBL28041725 0.78 ADRB2 (0.39) ALDH1A1KDM4ELMNAHPGDGAA
SCHEMBL28041742 0.78 ALDH1A1 (0.38) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL28041593 0.78 ADRB2 (0.39) ALDH1A1KDM4ELMNAHPGDGAA
SCHEMBL28990738 0.77 ADRB1 (0.34) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL28990684 0.77 ADRB1 (0.34) ALDH1A1KDM4ELMNAHPGDPOLB

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