SCHEMBL8576286

SCHEMBL8576286

C(#Cc1ccc(-c2cccs2)s1)CCOc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.39
MAPT P10636 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNA3 P22001 1/20 0.35
KCNH2 Q12809 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL8576281 0.82 DPP4 (0.39) DPP4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL498785 0.80 DPP4 (0.51) DPP4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8570077 0.77 LTA4H (0.42) DPP4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL498705 0.77 DPP4 (0.49) DPP4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4738045 0.77 DPP4 (0.50) DPP4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL498431 0.75 DPP4 (0.46) DPP4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL498743 0.75 ADORA3 (0.46) DPP4MAPTNPC1RAB9ALTA4H
SCHEMBL8575575 0.75 MAPT (0.36) DPP4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8010092 0.75 DPP4 (0.40) DPP4MAPTNPC1RAB9ALTA4H
SCHEMBL8001586 0.75 DPP4 (0.71) DPP4MAPTNPC1RAB9ASMN1; SMN2

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 5 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-5741811-A ADMINISTERING TO CANCER PATIENTS PURDUE RESEARCH FOUNDATION (US) 1998-04-21 US disclosed
US-5602170-A ADMINISTERING ANTIIFLAMMATORY AGENT INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1997-02-11 US disclosed
US-5578636-A Polythiophene anti-tumor agents PURDUE RESEARCH FOUNDATION (US) 1996-11-26 US disclosed