SCHEMBL6857533

SCHEMBL6857533

CCCc1nc(C(C)(O)CC)c(C(=O)OCC)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL987234 0.89 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHTTRECQL
Water SCHEMBL21776630 0.88 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL2626704 0.84 HPGD (0.40) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL7298547 0.81 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL7306435 0.80 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL5809049 0.78 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL8861128 0.77 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL4363347 0.77 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL1275935 0.77 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL1969215 0.76 CYP3A4 (0.34) ALDH1A1HPGDKDM4EHTTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069025-A1 (5-METHYL-2-OXO-1,3-DIOXOL-4-YLMETHYL)-4-(1-HYDROXY-1-METHYL-PROPYL)-2-PROPYL-1-[2'- (1H-TETRAZOL-5-YL)BIPHENYL-4-YL-METHYL]IMIDAZOLE-5-CARBOXYLATE AS AN IMPURITY OF OLMESARTAN MEDOXOMIL AND A METHOD OF ITS PREPARATION ZENTIVA, K.S. (CZ) 2012-05-31 WO claimed
WO-2012069025-A1 (5-METHYL-2-OXO-1,3-DIOXOL-4-YLMETHYL)-4-(1-HYDROXY-1-METHYL-PROPYL)-2-PROPYL-1-[2'- (1H-TETRAZOL-5-YL)BIPHENYL-4-YL-METHYL]IMIDAZOLE-5-CARBOXYLATE AS AN IMPURITY OF OLMESARTAN MEDOXOMIL AND A METHOD OF ITS PREPARATION ZENTIVA, K.S. (CZ) 2012-05-31 WO disclosed
WO-2012069025-A1 (5-METHYL-2-OXO-1,3-DIOXOL-4-YLMETHYL)-4-(1-HYDROXY-1-METHYL-PROPYL)-2-PROPYL-1-[2'- (1H-TETRAZOL-5-YL)BIPHENYL-4-YL-METHYL]IMIDAZOLE-5-CARBOXYLATE AS AN IMPURITY OF OLMESARTAN MEDOXOMIL AND A METHOD OF ITS PREPARATION ZENTIVA, K.S. (CZ) 2012-05-31 WO disclosed
WO-2011007368-A2 AN IMPROVED PROCESS FOR PREPARATION OF OLMESARTAN CADILA HEALTHCARE LIMITED (IN) 2011-01-20 WO disclosed