SCHEMBL6138595

SCHEMBL6138595

CCOC(=O)CN(C)CCC(C=O)Cc1ccc(C(=O)O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
RXRA P19793 1/20 0.35
RARB P10826 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
F10 P00742 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30

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
SCHEMBL3592364 0.81 LTA4H (0.40) LTA4HALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL6138536 0.78 PDE4A (0.44) LTA4HRXRARARB
SCHEMBL3596234 0.76 NR1H4 (0.40) RXRARARBNR1H4
SCHEMBL3484851 0.74 RARB (0.42) RXRARARBNR1H4ALDH1A1SMN1; SMN2
SCHEMBL3484856 0.72 NR1H4 (0.41) RXRARARBNR1H4ALDH1A1SMN1; SMN2
SCHEMBL3484841 0.67 NR1H4 (0.40) RXRARARBNR1H4CA12CA1
SCHEMBL10159905 0.66 AKR1C2 (0.49) RXRARARBNR1H4
SCHEMBL6005401 0.65 LTA4H (0.50) LTA4HALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL6006261 0.65 LTA4H (0.50) LTA4HALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL6003359 0.64 LTA4H (0.49) LTA4HALDH1A1SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216223-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-11-09 EP disclosed
EP-1216223-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019778-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed