SCHEMBL7739707

SCHEMBL7739707

CCCCOC(=O)[C@@H](N)Cc1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
XDH P47989 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
TSHR P16473 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PDE4D Q08499 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CPB1 P15086 1/20 0.34
CPB2 Q96IY4 1/20 0.34

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
SCHEMBL15228058 0.96 XDH (0.39) LMNAXDHTSHRCYP3A4SMN1; SMN2
SCHEMBL7781922 0.95 XDH (0.40) LMNAXDHTSHRSMN1; SMN2NPC1
SCHEMBL7779380 0.95 XDH (0.40) LMNAXDHTSHRSMN1; SMN2NPC1
SCHEMBL7780212 0.95 XDH (0.40) LMNAXDHTSHRSMN1; SMN2NPC1
SCHEMBL7779381 0.95 XDH (0.40) LMNAXDHTSHRSMN1; SMN2NPC1
SCHEMBL7780210 0.95 XDH (0.40) LMNAXDHTSHRSMN1; SMN2NPC1
SCHEMBL7781920 0.95 XDH (0.40) LMNAXDHTSHRSMN1; SMN2NPC1
SCHEMBL7733275 0.95 XDH (0.40) LMNAXDHTSHRSMN1; SMN2NPC1
SCHEMBL6436196 0.92 KDM4E (0.33) LMNATSHRTDP1SMN1; SMN2ALDH1A1
SCHEMBL6436198 0.92 KDM4E (0.33) LMNATSHRTDP1SMN1; SMN2ALDH1A1

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-6410680-B1 STRESS RESISTANCE THERAPY DENDRIMOLECULAR, INC. 2002-06-25 US claimed