SCHEMBL4451471

SCHEMBL4451471

CCCCCCNC(C(=O)O)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR84 Q9NQS5 3/20 0.40
NAAA Q02083 1/20 0.40
FFAR1 O14842 1/20 0.40
EPHX1 P07099 7/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL4564723 0.76 ALDH1A1 (0.36) KDM4EMAPTALDH1A1L3MBTL1MEN1
SCHEMBL28687392 0.72 MAPT (0.49) MAPTL3MBTL1MEN1KMT2ATDP1
SCHEMBL10448991 0.72 MAPT (0.49) MAPTL3MBTL1MEN1KMT2ATDP1
SCHEMBL11499749 0.71 NAAA (0.41) ALDH1A1GPR84NAAAFFAR1EPHX1
SCHEMBL22433662 0.70 GPR84 (0.48) MAPTL3MBTL1MAPK1NPSR1GPR84
SCHEMBL11177014 0.70 EPHX1 (0.50) MAPTALDH1A1GPR84FFAR1EPHX1
SCHEMBL7597231 0.70 EPHX1 (0.50) MAPTALDH1A1GPR84FFAR1EPHX1
SCHEMBL10587077 0.70 GPR84 (0.47) MAPTGPR84NAAAFFAR1EPHX1
SCHEMBL11581198 0.69 SMN1; SMN2 (0.62) MAPTGPR84FFAR1EPHX1
SCHEMBL11581195 0.69 SMN1; SMN2 (0.62) MAPTGPR84FFAR1EPHX1

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
US-7544700-B2 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moieties as inhibitors of protein JunKinases LABORATOIRES SERONO SA (CH) 2009-06-09 US disclosed