SCHEMBL5039664

SCHEMBL5039664

[CH2]c1ccc(C(=O)NCCCCCCCCCCCCCCC)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.73
NAAA Q02083 3/20 0.71
MLYCD O95822 1/20 0.66
CA2 P00918 1/20 0.64
THRA P10827 1/20 0.61
THRB P10828 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MAPK1 P28482 1/20 0.56
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
FOLH1 Q04609 2/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51

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
SCHEMBL6717371 1.00 L3MBTL1 (0.73) L3MBTL1NAAAMLYCDCA2THRA
SCHEMBL5044694 1.00 L3MBTL1 (0.73) L3MBTL1NAAAMLYCDCA2THRA
SCHEMBL95136 0.93 L3MBTL1 (0.63) L3MBTL1NAAAMLYCDCA2THRA
SCHEMBL30527282 0.91 L3MBTL1 (0.86) L3MBTL1NAAAMLYCDCA2THRA
SCHEMBL10481026 0.91 L3MBTL1 (0.86) L3MBTL1NAAAMLYCDCA2THRA
SCHEMBL9265536 0.91 L3MBTL1 (0.86) L3MBTL1NAAAMLYCDCA2THRA
SCHEMBL845966 0.91 L3MBTL1 (0.86) L3MBTL1NAAAMLYCDCA2THRA
SCHEMBL9504178 0.91 L3MBTL1 (0.86) L3MBTL1NAAAMLYCDCA2THRA
SCHEMBL6535660 0.91 L3MBTL1 (0.86) L3MBTL1NAAAMLYCDCA2THRA
SCHEMBL846047 0.91 L3MBTL1 (0.86) L3MBTL1NAAAMLYCDCA2THRA

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed