SCHEMBL1077646

SCHEMBL1077646

C=CCC(C)(C(=O)O)c1ccc(O)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
ALOX15 P16050 3/20 0.46
TSHR P16473 2/20 0.42
KDM4E B2RXH2 4/20 0.42
POLB P06746 4/20 0.42
MAPT P10636 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
THPO P40225 2/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 3/20 0.42
FYN P06241 2/20 0.42
APEX1 P27695 2/20 0.42
BLM P54132 2/20 0.42

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
SCHEMBL4026261 0.80 TSHR (0.41) ALDH1A1TSHRPOLBHTT
SCHEMBL2927687 0.78 ALDH1A1 (0.62) ALDH1A1TSHRKDM4EMAPTCYP1A2
SCHEMBL14850480 0.78 ALDH1A1 (0.62) ALDH1A1TSHRKDM4EMAPTCYP1A2
SCHEMBL31625977 0.76 ALDH1A1 (0.47) ALDH1A1TSHRKDM4ECYP1A2SMN1; SMN2
SCHEMBL27266784 0.76 ALDH1A1 (0.47) ALDH1A1TSHRKDM4ECYP1A2SMN1; SMN2
SCHEMBL6751634 0.76 ALDH1A1 (0.55) ALDH1A1TSHRMAPTSMN1; SMN2PTGS2
SCHEMBL252843 0.75 GLRA3 (0.42) ALDH1A1TDP1TSHRPOLBMAPT
SCHEMBL5373171 0.74 ALDH1A1 (0.41) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL5373177 0.74 ALDH1A1 (0.41) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL10979841 0.74 APP (0.50) ALDH1A1HPGDTSHRMAPTCYP1A2

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