SCHEMBL8770841

SCHEMBL8770841

CCCCCCCCc1cc(C(=O)O)c(N)c(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
KAT8 Q9H7Z6 4/20 0.46
PPARA Q07869 4/20 0.46
RARB P10826 4/20 0.45
PPARG P37231 2/20 0.43

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
SCHEMBL27482239 0.88 MEN1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL128456 0.88 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1245179 0.86 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4493600 0.84 CES2 (0.47) KAT8PPARARARBPPARGBID
SCHEMBL4489142 0.84 CES2 (0.47) KAT8PPARARARBPPARGBID
Bromide SCHEMBL11146660 0.83 CES2 (0.46) KAT8PPARARARBPPARGBID
Hydrochloric Acid SCHEMBL6848392 0.83 CES2 (0.46) KAT8PPARAPPARGBIDMCL1
Hydrochloric Acid SCHEMBL8642216 0.83 CES2 (0.46) KAT8PPARAPPARGBIDMCL1
SCHEMBL6371440 0.82 KDM4E (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14645638 0.82 PPARA (0.49) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105462406-A Exterior wall coating and preparation method thereof WENDENG LANDAO CONSTRUCTION ENG CO LTD 2016-04-06 CN claimed
CN-105462406-A Exterior wall coating and preparation method thereof WENDENG LANDAO CONSTRUCTION ENG CO LTD 2016-04-06 CN disclosed
CN-103974693-A Surface-modified ultraviolet blocking powder and ultraviolet blocking composition including same KCI CO LTD 2014-08-06 CN disclosed
CN-101243041-B Sunless tanning substrate PLAYTEX PRODUCTS INC 2013-01-02 CN disclosed
CN-1639311-B Mixtures of quaternary compounds CRODA INC 2010-05-12 CN disclosed
CN-101243041-A Sunless tanning substrate PLAYTEX PRODUCTS INC (US) 2008-08-13 CN disclosed
CN-100354340-C Polyether silioxane network composition GEN ELECTRIC (US) 2007-12-12 CN disclosed
CN-1639312-A Immidazoline quats CRODA INC (US) 2005-07-13 CN disclosed
CN-1639311-A Mixtures of quaternary compounds CRODA INC (US) 2005-07-13 CN disclosed
CN-1488677-A Polyether silioxane network composition 通用电气公司 2004-04-14 CN disclosed
CN-1041989-C Synergistic biocidal composition LONZA AG (US) 1999-02-10 CN disclosed
EP-0796107-A1 SUNSCREEN-WOUND HEALING COMPOSITION WARNER-LAMBERT COMPANY (US) 1997-09-24 EP disclosed
WO-1996017624-A1 SUNSCREEN-WOUND HEALING COMPOSITION WARNER-LAMBERT COMPANY (US) 1996-06-13 WO disclosed
US-5492894-A TRI TO HEXAPEPTIDE COTAINING ATLEAST THREE AMINO ACIDS IN THE FORM OF ARGANINE AND LYSINE FOR TOPICALLY APPLYING TO THE SKIN OF MAMMAL TO REGULATE WRINKLES THE PROCTER & GAMBLE COMPANY (US) 1996-02-20 US disclosed
CN-1036882-A SYNERGISTIC BIOCIDAL COMPOSITION LONZA AG (US) 1989-11-08 CN disclosed
US-4668666-A INSECTICIDES ADAMS VETERINARY RESEARCH LABORATORIES (US) 1987-05-26 US disclosed
WO-1986003374-A1 LONG-ACTING PYRETHRUM/PYRETHROID BASED PESTICIDES WITH SILICONE STABILIZERS ADAMS VETERINARY RESEARCH LABORATORIES, INC. (US) 1986-06-19 WO disclosed