SCHEMBL7780372

SCHEMBL7780372

CCCCCCCCCCCCCCCCCCOC(=O)[C@@H](N)CC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
NOD1 Q9Y239 2/20 0.46
EPHX1 P07099 1/20 0.46
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
HTR2C P28335 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL7782123 1.00 NAAA (0.48) NAAANOD1EPHX1TSHRLMNA
SCHEMBL7780258 1.00 NAAA (0.48) NAAANOD1EPHX1TSHRLMNA
SCHEMBL7782120 1.00 NAAA (0.48) NAAANOD1EPHX1TSHRLMNA
SCHEMBL10931815 1.00 NAAA (0.48) NAAANOD1EPHX1TSHRLMNA
SCHEMBL7780370 1.00 NAAA (0.48) NAAANOD1EPHX1TSHRLMNA
SCHEMBL6898711 1.00 NAAA (0.48) NAAANOD1EPHX1TSHRLMNA
Hydrochloric Acid SCHEMBL27552872 0.91 ALDH1A1 (0.45) NAAANOD1EPHX1TSHRLMNA
SCHEMBL2981700 0.86 NAAA (0.58) NAAANOD1EPHX1TSHRHTR2C
SCHEMBL17231345 0.86 NAAA (0.58) NAAANOD1EPHX1TSHRHTR2C
SCHEMBL2988281 0.86 S1PR1 (0.51) NAAANOD1EPHX1TSHRHTR2C

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-105417733-B A kind of ammonia nitrogen waste water handles biological agent 中山市绿浪助剂有限公司 2017-10-10 CN claimed
US-4505835-A REACTION PRODUCT OF AMINE AND HALEIC ANHYDRIDE TEXACO INC. (US) 1985-03-19 US claimed
CN-104403674-B Soil conditioner for adjusting soil physical and chemical property and preparation method thereof 成都新朝阳作物科学有限公司 2017-11-14 CN disclosed
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 WO disclosed
US-4231758-A GASOLINE WITH N,N'-DIALKYLASPARAGINE AND GLYCOL DICARBONATE DETERGENT ADDITIVES TEXACO INC. (US) 1980-11-04 US disclosed
US-4047900-A Motor fuel composition TEXACO INC. (US) 1977-09-13 US disclosed