SCHEMBL8575706

SCHEMBL8575706

CC(O)C#Cc1ccc(-c2cccs2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 2/20 0.44
DPP4 P27487 6/20 0.42
ALOX5 P09917 1/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL498688 0.98 DPP4 (0.44) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL498602 0.82 DPP4 (0.65) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL12964717 0.81 LTA4H (0.50) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL18280909 0.81 DPP4 (0.49) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL12964715 0.79 DPP4 (0.52) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL498784 0.79 DPP4 (0.45) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL499299 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL9049738 0.77 ALOX5 (0.60) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL13722857 0.77 LTA4H (0.41) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL8577871 0.75 KDM4E (0.55) ALDH1A1KDM4EGAAL3MBTL1MAPT

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
US-5753692-A PLANT EXTRACTS, IMMUNOSTIMULANTS TREATING IMMUNODEFICIENCY DISEASES INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1998-05-19 US disclosed
US-5747525-A ANTITUMOR AGENTS OF OLIGOMERS OF THIOPHENE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1998-05-05 US disclosed
US-5602170-A ADMINISTERING ANTIIFLAMMATORY AGENT INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1997-02-11 US disclosed