SCHEMBL28860950

SCHEMBL28860950

Cc1ccccc1CCC(=O)ON

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 5/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
MAOB P27338 1/20 0.41
HPGD P15428 3/20 0.40
CTBP2 P56545 1/20 0.40
NR3C2 P08235 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.39
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL8914213 0.84 CYP4F2 (0.51) CYP4F2CYP4A11TAAR1NOTUMALDH1A1
SCHEMBL13948404 0.82 CYP4F2 (0.73) CYP4F2CYP4A11TAAR1ALDH1A1GAA
SCHEMBL9864218 0.81 CYP4F2 (0.49) CYP4F2CYP4A11TAAR1NOTUMALDH1A1
SCHEMBL28929865 0.80 TNKS2 (0.38) CYP4F2CYP4A11HPGDKDM4ELMNA
SCHEMBL3053811 0.79 TAAR1 (0.55) CYP4F2CYP4A11TAAR1NOTUMALDH1A1
SCHEMBL30341383 0.79 TAAR1 (0.55) CYP4F2CYP4A11TAAR1NOTUMALDH1A1
SCHEMBL28212143 0.79 CYP4F2 (0.47) CYP4F2CYP4A11TAAR1NOTUMALDH1A1
SCHEMBL15648413 0.79 KMT2A (0.51) CYP4F2CYP4A11TAAR1NOTUMALDH1A1
SCHEMBL7331759 0.79 TAAR1 (0.54) CYP4F2CYP4A11TAAR1NOTUMALDH1A1
SCHEMBL323867 0.77 NPSR1 (0.61) TAAR1NOTUMALDH1A1THRATHRB

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-108250102-A It is a kind of(E)- 2- methoxyl group imines -2-(O-tolyl)The preparation method of methyl acetate 青岛润农化工有限公司 2018-07-06 CN disclosed