SCHEMBL8789994

SCHEMBL8789994

[CH2]SCCC(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ HSD17B10 Q99714 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ TSHR P16473 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ FKBP1A P62942 2/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL14654212 0.82 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1USP2HSD17B10
SCHEMBL6037481 0.80 L3MBTL1 (0.59) SMN1; SMN2RAB9ANPC1HSD17B10L3MBTL1
SCHEMBL13340599 0.78 GLA (0.58) SMN1; SMN2RAB9ANPC1USP2HSD17B10
SCHEMBL13923442 0.78 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1USP2HSD17B10
SCHEMBL295077 0.78 L3MBTL1 (0.55) SMN1; SMN2RAB9ANPC1USP2HSD17B10
SCHEMBL9415751 0.77 GLA (0.67) SMN1; SMN2RAB9ANPC1USP2HSD17B10
SCHEMBL11195842 0.77 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1USP2HSD17B10
SCHEMBL3404224 0.75 L3MBTL1 (0.63) SMN1; SMN2RAB9ANPC1USP2HSD17B10
SCHEMBL7694058 0.75 GLA (0.65) SMN1; SMN2RAB9ANPC1USP2HSD17B10
SCHEMBL5778349 0.75 L3MBTL1 (0.57) SMN1; SMN2RAB9ANPC1USP2HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 — — EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 — — WO disclosed
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