SCHEMBL6976448

SCHEMBL6976448

CCOC(=O)c1sc(SC)c(C(C)=O)c1C

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 7/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HPGD P15428 3/20 0.51
KDM4E B2RXH2 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
PKM P14618 1/20 0.47
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 3/20 0.45
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL1006034 0.90 MAPT (0.61) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL6970961 0.89 MAPT (0.53) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL6972054 0.87 ALDH1A1 (0.52) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL9371698 0.79 ADORA3 (0.51) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL16896247 0.79 MAPT (0.63) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL1077676 0.76 ADORA3 (0.48) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL6967137 0.75 ADORA3 (0.47) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL8281789 0.74 LMNA (0.55) MAPTRAB9ANPC1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL1008231 0.73 LMNA (0.54) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL14948701 0.73 MAPT (0.69) MAPTRAB9ANPC1ALDH1A1TSHR

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