SCHEMBL6972054

SCHEMBL6972054

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 4/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ADORA3 P0DMS8 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 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
SCHEMBL6970961 0.88 MAPT (0.53) ALDH1A1TSHRMAPTRAB9AKDM4E
SCHEMBL6976448 0.87 MAPT (0.54) ALDH1A1TSHRMAPTRAB9AKDM4E
SCHEMBL1006034 0.86 MAPT (0.61) ALDH1A1TSHRMAPTRAB9AKDM4E
SCHEMBL9371698 0.76 ADORA3 (0.51) ALDH1A1TSHRMAPTRAB9AKDM4E
SCHEMBL16896247 0.75 MAPT (0.63) ALDH1A1TSHRMAPTRAB9AKDM4E
SCHEMBL1077676 0.72 ADORA3 (0.48) ALDH1A1TSHRMAPTRAB9AKDM4E
SCHEMBL8281789 0.71 LMNA (0.55) ALDH1A1TSHRMAPTRAB9AKDM4E
Hydrochloric Acid SCHEMBL1008231 0.70 LMNA (0.54) ALDH1A1TSHRMAPTRAB9AKDM4E
SCHEMBL14948701 0.70 MAPT (0.69) ALDH1A1TSHRMAPTRAB9AKDM4E
SCHEMBL1007416 0.69 ADORA3 (0.45) ALDH1A1MAPTRAB9AKDM4ENPC1

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