SCHEMBL8814980

SCHEMBL8814980

CCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)NCCCOCCOCCOCCCN)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 1/20 0.46
NAMPT P43490 2/20 0.45
MLYCD O95822 1/20 0.43
CA2 P00918 1/20 0.43
TSHR P16473 1/20 0.42
NAAA Q02083 1/20 0.42

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
SCHEMBL4772916 0.84 L3MBTL1 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL8816476 0.77 HPGD (0.55) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL4766743 0.77 L3MBTL1 (0.46) SMN1; SMN2HPGDNPC1RAB9ALMNA
SCHEMBL4766513 0.76 NPC1 (0.53) SMN1; SMN2HPGDNPC1RAB9ALMNA
SCHEMBL27058172 0.76 SMN1; SMN2 (0.69) SMN1; SMN2HPGDNPC1RAB9ALMNA
SCHEMBL14758320 0.75 HPGD (0.52) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL961840 0.75 MAPT (0.47) LMNAALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL14253679 0.75 ALDH1A1 (0.55) SMN1; SMN2HPGDNPC1RAB9APOLB
SCHEMBL14253697 0.75 ALDH1A1 (0.55) SMN1; SMN2HPGDNPC1RAB9ALMNA
SCHEMBL29300397 0.74 L3MBTL1 (0.71) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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-1997029114-A1 BIOTIN-CONTAINING COMPOUNDS, BIOTINYLATION REAGENTS AND METHODS BOARD OF REGENTS OF THE UNIVERSITY OF WASHINGTON (US) 1997-08-14 WO disclosed