SCHEMBL7647191

SCHEMBL7647191

C=CN(CCCCC)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL9481174 0.82 AKR1B1 (0.41) AKR1B1GPR84PPARGPPARDPPARA
Bicarbonate SCHEMBL8503606 0.79 FAAH (0.41) AKR1B1ZDHHC20ZDHHC2TSHRALOX15
SCHEMBL22157417 0.79 DNM1 (0.43) ZDHHC20ZDHHC2TSHRALDH1A1FAAH
SCHEMBL28032511 0.77
SCHEMBL22157526 0.77 DNM1 (0.42) ZDHHC20ZDHHC2TSHRALDH1A1FAAH
Hydrochloric Acid SCHEMBL22575256 0.77 DNM1 (0.46) ZDHHC20ZDHHC2TSHRALDH1A1FAAH
SCHEMBL22157391 0.77 DNM1 (0.48) ZDHHC20ZDHHC2TSHRALDH1A1FAAH
SCHEMBL10721827 0.77 DNM1 (0.48) ZDHHC20ZDHHC2TSHRALDH1A1FAAH
SCHEMBL28875661 0.77 DNM1 (0.48) ZDHHC20ZDHHC2TSHRALDH1A1FAAH
SCHEMBL26666778 0.77 DNM1 (0.48) ZDHHC20ZDHHC2TSHRALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6437175-B2 MILD REACTION CONDITIONS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 2002-08-20 US claimed
US-6437175-B2 MILD REACTION CONDITIONS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 2002-08-20 US disclosed
US-20010031890-A1 Process for the racemization of nu-acylamino acids by means of transition metal catalysts AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 2001-10-18 US disclosed
EP-0018415-B1 PROCESS FOR PRODUCING ALKYL 4-(ALKOXY METHYL PHOSPHINOYL)BUTYRATES AND ALKYL-(2-AMINO-4-(ALKOXY METHYL PHOSPHINOYL)) BUTYRATES MEIJI SEIKA KAISHA LTD. (JP) 1982-10-13 EP disclosed
EP-0018415-A1 Process for producing alkyl 4-(alkoxy methyl phosphinoyl)butyrates and alkyl-(2-amino-4-(alkoxy methyl phosphinoyl)) butyrates MEIJI SEIKA KAISHA LTD. (JP) 1980-11-12 EP disclosed