SCHEMBL2729633

SCHEMBL2729633

CCCCCCCCCC(=O)Nc1cc2c(C)cc(=O)oc2cc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.83
KDM4E B2RXH2 12/20 0.83
SMN1; SMN2 Q16637 4/20 0.83
HPGD P15428 9/20 0.62
HSD17B10 Q99714 6/20 0.62
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
MCL1 Q07820 3/20 0.52
CYP3A4 P08684 1/20 0.51
THRB P10828 1/20 0.51
AKR1B1 P15121 1/20 0.51
GAA P10253 4/20 0.49
GLA P06280 2/20 0.49
HTT P42858 2/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
EP300 Q09472 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL321639 1.00 ALDH1A1 (0.83) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL31022581 1.00 ALDH1A1 (0.83) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL9883099 0.85 KDM4E (0.61) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL30607190 0.80 KDM4E (0.77) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL14974877 0.80 KDM4E (0.77) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL308979 0.80 KDM4E (0.61) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL2729641 0.79 KDM4E (0.60) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL12987557 0.79 KDM4E (0.78) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL29435303 0.79 KDM4E (0.78) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL14493664 0.78 EP300 (0.56) ALDH1A1KDM4ESMN1; SMN2HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130337482-A1 ASSAYS AND KITS TO DETERMINE GALACTOCEREBROSIDASE ACTIVITY ON SOLID SUPPORT SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2013-12-19 US claimed
EP-2633065-A2 ASSAYS AND KITS TO DETERMINE GALACTOCEREBROSIDASE ACTIVITY ON SOLID SUPPORT Shire Human Genetic Therapies, Inc. (US) 2013-09-04 EP claimed
WO-2012058625-A2 ASSAYS AND KITS TO DETERMINE GALACTOCEREBROSIDASE ACTIVITY ON SOLID SUPPORT SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2012-05-03 WO claimed
US-20130337482-A1 ASSAYS AND KITS TO DETERMINE GALACTOCEREBROSIDASE ACTIVITY ON SOLID SUPPORT SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2013-12-19 US disclosed
EP-2633065-A2 ASSAYS AND KITS TO DETERMINE GALACTOCEREBROSIDASE ACTIVITY ON SOLID SUPPORT Shire Human Genetic Therapies, Inc. (US) 2013-09-04 EP disclosed
WO-2012058625-A2 ASSAYS AND KITS TO DETERMINE GALACTOCEREBROSIDASE ACTIVITY ON SOLID SUPPORT SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2012-05-03 WO disclosed