SCHEMBL6701627

SCHEMBL6701627

CCOC(=O)CCc1c(C(=O)O)[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
ALDH1A1 P00352 2/20 0.68
MCL1 Q07820 12/20 0.61
FOLH1 Q04609 1/20 0.60
HTR6 P50406 2/20 0.60
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR1F P30939 1/20 0.57
HTR7 P34969 1/20 0.57
DRD3 P35462 1/20 0.57
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
BCL2 P10415 2/20 0.55
ALB P02768 1/20 0.55

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
SCHEMBL9449326 0.94 MCL1 (0.63) KDM4EALDH1A1MCL1FOLH1HTR6
SCHEMBL2204353 0.90 HTR6 (0.74) KDM4EALDH1A1MCL1HTR6HTR1A
SCHEMBL3107169 0.86 KDM4E (0.61) KDM4EALDH1A1MCL1FOLH1HTR6
SCHEMBL20037062 0.85 ALDH1A1 (0.59) KDM4EALDH1A1HTR6HTR1ADRD2
SCHEMBL9011379 0.83 HTR6 (0.54) KDM4EALDH1A1MCL1HTR6HTR1A
SCHEMBL9188195 0.82 KDM4E (1.00) KDM4EALDH1A1MCL1FOLH1
SCHEMBL29432490 0.82 KDM4E (1.00) KDM4EALDH1A1MCL1FOLH1
SCHEMBL3881052 0.81 MCL1 (0.67) KDM4EALDH1A1MCL1FOLH1HPGD
SCHEMBL3276610 0.79 KDM4E (0.83) KDM4EALDH1A1MCL1FOLH1BCL2
SCHEMBL29368058 0.79 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10

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
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed