SCHEMBL27323786

SCHEMBL27323786

CCOC(=O)CCC(C)C(N)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36

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
SCHEMBL28308286 0.85 CYP1A2 (0.48) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL27977716 0.82 METAP1 (0.44) POLBALDH1A1GABRPGABRDGABRA1
SCHEMBL12510627 0.82 GABRP (0.54) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL29226009 0.82 CYP1A2 (0.54) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL28308256 0.81 CYP1A2 (0.46) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL27418342 0.81 SLC15A1 (0.49) L3MBTL1KMT2ACYP1A2ALDH1A1CYP2D6
SCHEMBL25842955 0.81 GABRP (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21052326 0.81 L3MBTL1 (0.51) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL8102824 0.80 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP1A2MGAM
Hydrochloric Acid SCHEMBL29076059 0.80 GABRP (0.52) L3MBTL1KMT2APOLBCYP1A2MGAM

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-1050839-C Novel sulfonylamino pyrimidines HOFFMANN LA ROCHE (CH) 2000-03-29 CN claimed
CN-1106007-A Novel sulfonylamino pyrimidines HOFFMANN LA ROCHE (CH) 1995-08-02 CN claimed