SCHEMBL7188617

SCHEMBL7188617

CC(N)=Cc1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TSHR P16473 3/20 0.48
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35

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
SCHEMBL13891036 1.00 ALDH1A1 (0.48) ALDH1A1TSHRHPGDLMNAHTT
SCHEMBL14950437 1.00 ALDH1A1 (0.48) ALDH1A1TSHRHPGDLMNAHTT
SCHEMBL257719 0.81 ALDH1A1 (0.52) ALDH1A1TSHRHPGDLMNAHTT
Hydrochloric Acid SCHEMBL5143701 0.81 TRPA1 (0.40) ALDH1A1TSHRHPGDLMNAHTT
SCHEMBL25109162 0.79 ALDH1A1 (0.42) ALDH1A1TSHRHPGDLMNAHTT
SCHEMBL4744668 0.79 ALDH1A1 (0.47) ALDH1A1TSHRHPGDLMNAHTT
SCHEMBL23130300 0.78 ALDH1A1 (0.45) ALDH1A1TSHRHPGDLMNAHTT
SCHEMBL14864730 0.77 ALDH1A1 (0.48) ALDH1A1TSHRHPGDLMNAHTT
SCHEMBL22478581 0.77 ALDH1A1 (0.48) ALDH1A1TSHRHPGDLMNAHTT
SCHEMBL29128997 0.77 ALDH1A1 (0.48) ALDH1A1TSHRHPGDLMNAHTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104520399-B Adhesive composite 日本瑞翁株式会社 2017-11-10 CN disclosed
CN-103946301-B Acrylonitrile rubber composite and rubber cross thing ZEON CORP. (JP) 2015-11-25 CN disclosed
CN-104520399-A Adhesive agent composition ZEON CORP 2015-04-15 CN disclosed
CN-103946301-A Nitrile rubber composition and rubber cross-linked product ZEON CORP 2014-07-23 CN disclosed
EP-1065934-B1 COMBINATION OF GLYPHOSATE AND A TRIAZOLINONE HERBICIDE MONSANTO TECHNOLOGY LLC (US) 2003-06-25 EP disclosed
EP-1065934-A1 COMBINATION OF GLYPHOSATE AND A TRIAZOLINONE HERBICIDE MONSANTO COMPANY (US) 2001-01-10 EP disclosed
US-6127318-A POSTEMERGENT HERBICIDE MIXTURE ALLOWS RAPID UPTAKE BY THE TARGET PLANT, EARLY VISUAL SYMPTOMS OF PLANT TREATMENT, AND CONTROL OF A BROAD SPECTRUM OF WEED SPECIES MONSANTO COMPANY (US) 2000-10-03 US disclosed
WO-1999051099-A1 COMBINATION OF GLYPHOSATE AND A TRIAZOLINONE HERBICIDE MONSANTO COMPANY (US) 1999-10-14 WO disclosed