SCHEMBL7259271

SCHEMBL7259271

CCC1(C[C@H](N)C(=O)NCCC[C@H](O)c2nc3ccccc3o2)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
RAB9A P51151 3/20 0.33
GALK1 P51570 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 2/20 0.32
F2 P00734 1/20 0.32
MAPT P10636 1/20 0.32
MIF P14174 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
Hydrochloric Acid SCHEMBL7255797 0.78 CTSS (0.47) CTSKLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL6206920 0.76 CTSS (0.41) LMNAHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL7255683 0.74 LMNA (0.36) MTNR1AMTNR1BLMNAHTTSMN1; SMN2
SCHEMBL7259162 0.74 ALDH1A1 (0.40) MTNR1AMTNR1BPTPN2PTPN1ALDH1A1
SCHEMBL6630426 0.73 CTSC (0.47)
SCHEMBL7260207 0.72 PTGER4 (0.43) CTSK
SCHEMBL6633248 0.72 LMNA (0.35) MTNR1AMTNR1BLMNAHTTSMN1; SMN2
SCHEMBL6632745 0.72 ALDH1A1 (0.39) PTPN2PTPN1ALDH1A1
SCHEMBL6632750 0.72 ALDH1A1 (0.39) PTPN2PTPN1ALDH1A1
SCHEMBL6630204 0.72 ALDH1A1 (0.39) PTPN2PTPN1ALDH1A1

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
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO disclosed