SCHEMBL3440803

SCHEMBL3440803

CC(CCC(=O)O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 2/20 0.62
KEAP1 Q14145 1/20 0.55
CYSLTR2 Q9NS75 2/20 0.53
CYSLTR1 Q9Y271 2/20 0.53
NAALAD2 Q9Y3Q0 2/20 0.53
FFAR1 O14842 1/20 0.52
SLC15A1 P46059 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LTA4H P09960 1/20 0.49
CYP1A2 P05177 1/20 0.48
CPA1 P15085 2/20 0.47
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL757260 1.00 CPA3 (0.62) CPA3KEAP1CYSLTR2CYSLTR1NAALAD2
SCHEMBL18576990 0.90 FFAR1 (0.61) CPA3CYSLTR2CYSLTR1FFAR1
SCHEMBL28588548 0.89 CPA3 (0.54) CPA3KEAP1CYSLTR2CYSLTR1NAALAD2
SCHEMBL13235780 0.87 ALDH1A1 (0.55) CPA3SLC15A1NPC1RAB9ACYP1A2
SCHEMBL20208030 0.87 ALDH1A1 (0.55) CPA3SLC15A1NPC1RAB9ACYP1A2
SCHEMBL29016766 0.86 HDAC1 (0.58) LTA4HHDAC3HDAC4HDAC1HDAC7
SCHEMBL29339199 0.86 MAPT (0.56) CPA3KEAP1NAALAD2FFAR1SLC15A1
SCHEMBL7400003 0.85 CYSLTR2 (0.52) CPA3CYSLTR2CYSLTR1NAALAD2FFAR1
SCHEMBL25633090 0.85 FFAR1 (0.51) CPA3CYSLTR2CYSLTR1FFAR1MAPK1
SCHEMBL28228765 0.85 EPHX1 (0.47) CPA3SLC15A1NPC1RAB9ACYP1A2

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
WO-2020154567-A1 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF DISEASES OF THE LIVER Viscient Biosciences, Inc. (US) 2020-07-30 WO disclosed
CN-103958517-B For being enhanced to the CBP/ catenin antagonist of the Asymmetric division of somatic stem cell 南加州大学 2016-10-19 CN disclosed
CN-103958517-A CBP/catenin antagonists for enhancing asymmetric division of somatic stem cells UNIV SOUTHERN CALIFORNIA 2014-07-30 CN disclosed
US-7807616-B2 Geranonitrile substitute HENKEL AG & CO. KGAA (DE) 2010-10-05 US disclosed
US-20070265183-A1 fragrance mixture for laundering, care and/or cleaning component; producing a citrus odor; 3,7-dimethyloct-6-enenitrile mixtures; stability; nontoxic HENKEL AG & CO. KGAA (DE) 2007-11-15 US disclosed
CN-1168442-C Methods and compsns. for stimulating neurite growth using compounds with affinity for PKBP12 in combination with neurotrophic factors ��̩��˹ҩ��ɷ����޹�˾ 2004-09-29 CN disclosed
EP-0032576-B1 PROCESS FOR THE PREPARATION OF P-SUBSTITUTED PHENYL PROPANOLS AND THEIR ESTERS AND OF P-SUBSTITUTED 3-PHENYL-2-METHYL PROPANALS BASF Aktiengesellschaft (DE) 1983-08-10 EP disclosed
EP-0032576-A1 Process for the preparation of p-substituted phenyl propanols and their esters and of p-substituted 3-phenyl-2-methyl propanals BASF Aktiengesellschaft (DE) 1981-07-29 EP disclosed