SCHEMBL3814940

SCHEMBL3814940

COc1ccc(CN(CCCCCC(=O)Cl)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
BCHE P06276 1/20 0.54
TSHR P16473 2/20 0.48
USP2 O75604 1/20 0.48
LPAR1 Q92633 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALOX5 P09917 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
LTB4R Q15722 1/20 0.44
LPAR5 Q9H1C0 1/20 0.44

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
SCHEMBL3075203 0.99 ACHE (0.52) ACHEBCHETSHRUSP2LPAR1
SCHEMBL3073569 0.94 TSHR (0.50) ACHEBCHETSHRUSP2LPAR1
SCHEMBL393311 0.85 TSHR (0.47) ACHEBCHETSHRLPAR1TDP1
SCHEMBL393336 0.83 TSHR (0.48) ACHEBCHETSHRLPAR1TDP1
SCHEMBL9663990 0.81 ALOX5 (0.58) ALOX5LTB4R
SCHEMBL18646559 0.80 TSHR (0.62) ACHEBCHETSHRUSP2LPAR1
SCHEMBL11830150 0.79 ALOX5 (0.59) ALOX5ALDH1A1LTB4R
SCHEMBL392054 0.79 TSHR (0.49) ACHETSHRLPAR1TDP1ALOX5
SCHEMBL3484433 0.79 TDP1 (0.60) ACHETSHRUSP2LPAR1TDP1
SCHEMBL6122069 0.78 TSHR (0.63) ACHEBCHETSHRUSP2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987026-B1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER HEALTHCARE AG (DE) 2009-08-26 EP disclosed
EP-1987026-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS Bayer HealthCare AG (DE) 2008-11-05 EP disclosed
WO-2007093328-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER HEALTHCARE AG (DE) 2007-08-23 WO disclosed