SCHEMBL6967137

SCHEMBL6967137

CCOC(=O)c1sc(SC)c(C(=O)CC)c1CC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 8/20 0.38
HPGD P15428 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
MC4R P32245 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL6970961 0.85 MAPT (0.53) ADORA3KMT2ANPSR1MEN1LMNA
SCHEMBL1077676 0.78 ADORA3 (0.48) ADORA3KMT2ANPSR1MEN1LMNA
SCHEMBL1006034 0.77 MAPT (0.61) ADORA3KMT2ANPSR1MEN1LMNA
SCHEMBL9371698 0.76 ADORA3 (0.51) ADORA3KMT2ANPSR1MEN1LMNA
SCHEMBL1007416 0.75 ADORA3 (0.45) ADORA3KMT2ANPSR1MEN1LMNA
SCHEMBL6976448 0.75 MAPT (0.54) ADORA3KMT2ANPSR1MEN1LMNA
SCHEMBL6972054 0.74 ALDH1A1 (0.52) ADORA3KMT2ANPSR1MEN1LMNA
SCHEMBL19993956 0.71 MAPT (0.71) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL8281789 0.71 LMNA (0.55) ADORA3KMT2ANPSR1MEN1LMNA
Hydrochloric Acid SCHEMBL1008231 0.70 LMNA (0.54) ADORA3KMT2ANPSR1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120415-B1 SUBSTITUTED ISOXAZOLYLTHIOPHENE COMPOUNDS TAISHO PHARMACEUTICAL CO LTD (JP) 2003-07-23 EP disclosed
US-6355663-B1 AN ENHANCING AGENT FOR THE ACTION OF CELL DIFFERENTIATION INDUCTION FACTORS FOR BONE DISORDERS AND NERVOUS SYSTEM DISORDERS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
EP-1120415-A1 SUBSTITUTED ISOXAZOLYLTHIOPHENE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2001-08-01 EP disclosed