SCHEMBL28002199

SCHEMBL28002199

Cc1cc(C)cc(NC(=O)O)c1.NC1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.56
LMNA P02545 1/20 0.56
SSTR2 P30874 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL93283 0.85 NPSR1 (0.55) NPSR1LMNACYP1A2CYP3A4MEN1
SCHEMBL28035170 0.77 ALDH1A1 (0.53) NPSR1LMNACYP1A2POLBHTT
SCHEMBL28069063 0.77 CYP1A2 (0.50) NPSR1LMNACYP1A2CYP3A4MEN1
SCHEMBL10007199 0.74 DDX3X (0.43) NPSR1LMNACYP1A2CYP3A4POLB
Butyramide SCHEMBL28001896 0.73 CYP1A2 (0.50) NPSR1LMNACYP1A2CYP3A4MEN1
Benzamide SCHEMBL28002190 0.73 THRB (0.57) CYP1A2CYP3A4POLBMEN1KMT2A
SCHEMBL5523767 0.73 CYP1A2 (0.58) NPSR1LMNACYP1A2CYP3A4MEN1
SCHEMBL13735692 0.72 HDAC3 (0.44) NPSR1LMNACYP1A2CYP3A4MEN1
SCHEMBL29177326 0.72 HDAC3 (0.46) NPSR1LMNACYP1A2CYP3A4MEN1
SCHEMBL30801100 0.72 MAPT (0.48) NPSR1MEN1KMT2AHTTTHRB

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-104311700-A Chitosan-bi(aryl-carbamate)-(amide) and preparation method thereof WUHAN INST TECHNOLOGY 2015-01-28 CN disclosed