SCHEMBL11096063

SCHEMBL11096063

O=C(CC1CCCCC1)OCCI

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
EPHX1 P07099 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL6894979 0.84 L3MBTL1 (0.43) L3MBTL1LMNAALDH1A1KMT2AEPHX1
SCHEMBL6019680 0.82 SMN1; SMN2 (0.46) L3MBTL1LMNAALDH1A1KMT2AEPHX1
SCHEMBL3116769 0.81 TDP1 (0.45) L3MBTL1LMNAALDH1A1KMT2AEPHX1
SCHEMBL27753788 0.81 L3MBTL1 (0.41) L3MBTL1LMNAALDH1A1KMT2AEPHX1
SCHEMBL1439009 0.81 L3MBTL1 (0.41) L3MBTL1LMNAALDH1A1KMT2AEPHX1
SCHEMBL5569311 0.78 L3MBTL1 (0.41) L3MBTL1LMNAALDH1A1KMT2AEPHX1
SCHEMBL1438977 0.78 L3MBTL1 (0.45) L3MBTL1ALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL163813 0.78 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL22346246 0.78 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL196057 0.77 NAAA (0.52) L3MBTL1EPHX1SMN1; SMN2MAPK1

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-0109294-A2 Cephalosporin esters Takeda Chemical Industries, Ltd. (JP) 1984-05-23 EP disclosed