SCHEMBL8577882

SCHEMBL8577882

Cc1ccc(-c2ccc(-c3ccc(C=O)s3)s2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.56
MAPT P10636 7/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2E1 P05181 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2B6 P20813 1/20 0.49
APP P05067 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL10674835 0.98 DPP4 (0.53) DPP4MAPTKDM4EHPGDPOLB
SCHEMBL607254 0.87 DPP4 (0.69) DPP4MAPTKDM4EHPGDPOLB
SCHEMBL40949 0.84
SCHEMBL278904 0.84 DPP4 (0.65) DPP4MAPTKDM4EHPGDPOLB
SCHEMBL12892647 0.82 MAPT (0.46) DPP4MAPTKDM4EHPGDPOLB
SCHEMBL16140264 0.80 DPP4 (0.62) DPP4MAPTKDM4EHPGDPOLB
SCHEMBL12170048 0.79 NPC1 (0.50) MAPTKDM4EHPGDPOLBGAA
SCHEMBL12982161 0.79 NPC1 (0.50) MAPTKDM4EHPGDPOLBGAA
SCHEMBL12982405 0.79 NPC1 (0.50) MAPTKDM4EHPGDPOLBGAA
SCHEMBL120939 0.79 NPC1 (0.50) MAPTKDM4EHPGDPOLBGAA

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