SCHEMBL6136444

SCHEMBL6136444

CCOC(=O)CCNCc1ccc(OCC)c(OCC)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
S1PR2 O95136 1/20 0.52
S1PR1 P21453 1/20 0.52
S1PR3 Q99500 1/20 0.52
LPAR2 Q9HBW0 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
LTA4H P09960 2/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.45

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
SCHEMBL6136380 0.94 L3MBTL1 (0.61) LMNAL3MBTL1S1PR2S1PR1S1PR3
SCHEMBL6136228 0.86 HDAC3 (0.58) L3MBTL1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6136381 0.82 BCHE (0.64) LMNASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL7772808 0.82 LMNA (0.63) LMNAL3MBTL1S1PR2S1PR1S1PR3
SCHEMBL16839736 0.82 LTA4H (0.60) KMT2AMEN1LTA4HPOLB
SCHEMBL2848440 0.81 CYP4F2 (0.59) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL5940295 0.80 LTA4H (0.50) S1PR1SMN1; SMN2ALDH1A1KMT2ALTA4H
SCHEMBL16839772 0.80 SMN1; SMN2 (0.51) LMNAL3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL16839712 0.80 SMN1; SMN2 (0.62) LMNASMN1; SMN2ALDH1A1LTA4HKDM4E
SCHEMBL16839029 0.79 S1PR2 (0.44) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042279-B1 SUBSTITUTED BETA-ALANINES AVENTIS PHARMA LTD (GB) 2005-03-02 EP disclosed
CN-1163477-C Substituted beta-alanines 2004-08-25 CN disclosed
US-6352977-B1 ALANINE WITH PRODRUGS AVENTIS PHARMA LIMITED (GB) 2002-03-05 US disclosed
CN-1283181-A Substituted beta-alanines AWONGTISFAMA CO LTD (GB) 2001-02-07 CN disclosed
EP-1042279-A1 SUBSTITUTED BETA-ALANINES Aventis Pharma Limited (GB) 2000-10-11 EP disclosed
WO-1999033789-A1 SUBSTITUTED β-ALANINES AVENTIS PHARMA LIMITED (GB) 1999-07-08 WO disclosed