SCHEMBL1077642

SCHEMBL1077642

C=CCc1c(CCC(=O)O)ccc(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
CTSK P43235 1/20 0.40
FFAR1 O14842 3/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
SRD5A1 P18405 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
HSPA1A P0DMV8 1/20 0.36
HSPA8 P11142 1/20 0.36
ALOX15 P16050 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
BRCA1 P38398 1/20 0.36
STAT6 P42226 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL26046352 0.80 POLB (0.45) POLBCTSKFFAR1ALDH1A1HPGD
SCHEMBL7943871 0.79 GABRA1 (0.52) POLBGABRA1GABRB2SRD5A1ALDH1A1
SCHEMBL1743958 0.79 PRKCI (0.44) POLBCTSKGABRA1GABRB2SRD5A1
SCHEMBL5683687 0.78 GABRA1 (0.43) FFAR1GABRA1GABRB2ALDH1A1HPGD
SCHEMBL490950 0.76 POLB (0.50) POLBNPSR1IAPP
SCHEMBL6526829 0.73 SELL (0.52) POLBGABRA1GABRB2SRD5A1ALDH1A1
SCHEMBL1413853 0.73 SRD5A1 (0.49) POLBGABRA1GABRB2SRD5A1ALDH1A1
SCHEMBL8418481 0.72 GABRA1 (0.53) POLBFFAR1GABRA1GABRB2ALDH1A1
SCHEMBL26634673 0.72 NR1H4 (0.39) POLBFFAR1GABRA1GABRB2ALDH1A1
SCHEMBL7167288 0.71 KEAP1 (0.48) FFAR1GABRA1GABRB2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29892-E ALPHA-HYDRAZINO-ALPHA-LOWER ALKYL-3,4-DIHYDROXYPHENYLPROPIONIC ACID MERCK & CO. INC. (US) 1979-01-30 US claimed
US-20180200203-A1 CONTROLLED RELEASE DELIVERY SYSTEM FOR NASAL APPLICATION OF NEUROTRANSMITTERS M et P Pharma AG (CH) 2018-07-19 US disclosed
US-9801834-B2 Controlled release delivery system for nasal application of neurotransmitters M et P Pharma AG (CH) 2017-10-31 US disclosed
US-20160089347-A1 CONTROLLED RELEASE DELIVERY SYSTEM FOR NASAL APPLICATION OF NEUROTRANSMITTERS MATTERN PHARMA AG (LI) 2016-03-31 US disclosed
US-9186320-B2 Controlled release delivery system for nasal application of neurotransmitters MATTERN PHARMA AG (LI) 2015-11-17 US disclosed
US-20120009249-A1 CONTROLLED RELEASE DELIVERY SYSTEM FOR NASAL APPLICATION OF NEUROTRANSMITTERS ACERUS PHARMACEUTICALS SRL (BB) 2012-01-12 US disclosed
EP-2068825-B1 CONTROLLED RELEASE DELIVERY SYSTEM FOR NASAL APPLICATION OF NEUROTRANSMITTERS M & P PATENT AG (LI) 2011-01-26 EP disclosed
US-20090227550-A1 CONTROLLED RELEASE DELIVERY SYSTEM FOR NASAL APPLICATION OF NEUROTRANSMITTERS ACERUS PHARMACEUTICALS SRL (BB) 2009-09-10 US disclosed
EP-2068825-A1 CONTROLLED RELEASE DELIVERY SYSTEM FOR NASAL APPLICATION OF NEUROTRANSMITTERS M & P Patent Aktiengesellschaft (LI) 2009-06-17 EP disclosed
WO-2008040488-A1 CONTROLLED RELEASE DELIVERY SYSTEM FOR NASAL APPLICATION OF NEUROTRANSMITTERS M & P PATENT AKTIENGESELLSCHAFT (LI) 2008-04-10 WO disclosed
US-RE29892-E ALPHA-HYDRAZINO-ALPHA-LOWER ALKYL-3,4-DIHYDROXYPHENYLPROPIONIC ACID MERCK & CO. INC. (US) 1979-01-30 US disclosed
US-RE29892-E ALPHA-HYDRAZINO-ALPHA-LOWER ALKYL-3,4-DIHYDROXYPHENYLPROPIONIC ACID MERCK & CO. INC. (US) 1979-01-30 US disclosed