SCHEMBL8577871

SCHEMBL8577871

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 2/20 0.55
GLA P06280 1/20 0.55
NPC1 O15118 5/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL12964717 0.81 LTA4H (0.50) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL8574074 0.80 ALDH1A1 (0.45) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL12964715 0.79 DPP4 (0.52) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL8570111 0.79 DPP4 (0.46) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL499299 0.78 ALDH1A1 (0.46) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL1159454 0.78 GRM5 (0.46) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL8573579 0.77 ALDH1A1 (0.48) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL4738045 0.76 DPP4 (0.50) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL8575706 0.75 ALDH1A1 (0.44) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL6852454 0.75 LTA4H (0.44) KDM4EALDH1A1LMNAGAAL3MBTL1

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
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