SCHEMBL8575575

SCHEMBL8575575

C(#CC(COc1ccccc1)Oc1ccccc1)c1ccc(-c2cccs2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
DPP4 P27487 5/20 0.34
LTA4H P09960 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
LMNA P02545 3/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL8576286 0.75 DPP4 (0.39) MAPTTSHRALDH1A1POLBHPGD
SCHEMBL8575572 0.74 DPP4 (0.36) TSHRDPP4LTA4H
SCHEMBL12964717 0.71 LTA4H (0.50) MAPTTSHRALDH1A1POLBHPGD
SCHEMBL8576633 0.70 ALDH1A1 (0.45) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL8157406 0.70 ALDH1A1 (0.42) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL27986344 0.70 ALDH1A1 (0.42) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL12964715 0.69 DPP4 (0.52) MAPTTSHRALDH1A1POLBHPGD
SCHEMBL498602 0.69 DPP4 (0.65) MAPTTSHRALDH1A1POLBHPGD
SCHEMBL498784 0.69 DPP4 (0.45) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL8575706 0.68 ALDH1A1 (0.44) MAPTTSHRALDH1A1POLBHPGD

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