SCHEMBL28239490

SCHEMBL28239490

O=C(O)CCCCNc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ALDH1A1 P00352 1/20 0.48
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC6 Q9UBN7 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
FOLH1 Q04609 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.44
CXCR1 P25024 1/20 0.44
CXCR2 P25025 1/20 0.44

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
SCHEMBL15613904 0.94 LMNA (0.58) LMNAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL2703268 0.86 POLB (0.61) LMNAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL9657820 0.85 CYP1A1 (0.53) ALDH1A1HDAC3HDAC1HDAC2POLB
SCHEMBL6130488 0.85 MAPT (0.61) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL27479877 0.84 MAPK1 (0.54) ALDH1A1HDAC3HDAC1HDAC2POLB
SCHEMBL28239492 0.84 FFAR1 (0.55) LMNAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL28863138 0.84 RXFP1 (0.50) LMNAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL16691726 0.83 ALDH1A1 (0.59) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL15068944 0.83 ALDH1A1 (0.59) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL859720 0.83 ALDH1A1 (0.59) ALDH1A1HDAC3HDAC1HDAC2HDAC6

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-108516941-A A kind of 3-(Phenyl amino)The preparation method of ethyl propionate class compound 济南大学 2018-09-11 CN disclosed