SCHEMBL6737820

SCHEMBL6737820

O=C(NC(=O)C1CCCCC1)c1c[c]ccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 2/20 0.41
ALOX12 P18054 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTPN1 P18031 1/20 0.40
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
CETP P11597 1/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL4266412 0.81 KCNK3 (0.61) RAB9AGAAHTTSMN1; SMN2RXFP1
SCHEMBL1601556 0.79 RAB9A (0.56) RAB9AHTTSMN1; SMN2HPGDALDH1A1
SCHEMBL6282431 0.77 HPGD (0.51) RAB9AGAASMN1; SMN2KCNK3KCNK9
SCHEMBL161742 0.77 L3MBTL1 (0.55) RAB9AHTTSMN1; SMN2HPGDALDH1A1
SCHEMBL693444 0.76 HPGD (0.66) GAASMN1; SMN2KCNK3KCNK9HPGD
SCHEMBL5847210 0.75 HDAC3 (0.38) RAB9AGAAHTTSMN1; SMN2RXFP1
SCHEMBL5847219 0.75 HDAC3 (0.38) RAB9AGAAHTTSMN1; SMN2RXFP1
SCHEMBL6757892 0.75 HPGD (0.49) RAB9AGAASMN1; SMN2KCNK3KCNK9
SCHEMBL20797095 0.74 L3MBTL1 (0.51) RAB9ASMN1; SMN2HPGDNPC1KDM4E
SCHEMBL6615592 0.74 HPGD (0.63) GAAHTTSMN1; SMN2KCNK3KCNK9

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-6686484-B2 ANTICOAGULANTS; SERINE PROTEASE INHIBITOR PHARMACIA CORPORATION 2004-02-03 US claimed