SCHEMBL423358

SCHEMBL423358

O=C([O-])CNCc1cccnc1.O=C([O-])CNCc1cccnc1.O=C([O-])CNCc1cccnc1.[Cr+3]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.62
CYP2D6 P10635 1/20 0.62
RECQL P46063 1/20 0.55
CHRM2 P08172 1/20 0.53
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 1/20 0.51
FES P07332 1/20 0.50
RET P07949 1/20 0.50
MARK3 P27448 1/20 0.50
TYK2 P29597 1/20 0.50
FLT4 P35916 1/20 0.50
SYK P43405 1/20 0.50
CLK2 P49760 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
USP2 O75604 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL29653592 0.83 CYP1A2 (0.67) CYP1A2CYP2D6RECQLCHRM2ALDH1A1
SCHEMBL2006175 0.83 CYP1A2 (0.67) CYP1A2CYP2D6RECQLCHRM2ALDH1A1
SCHEMBL3398316 0.83 CYP1A2 (0.67) CYP1A2CYP2D6RECQLCHRM2ALDH1A1
SCHEMBL14189533 0.82 CYP1A2 (0.65) CYP1A2CYP2D6RECQLCHRM2ALDH1A1
SCHEMBL29644833 0.82 RECQL (0.66) CYP1A2CYP2D6RECQLCHRM2ALDH1A1
SCHEMBL1815219 0.82 RECQL (0.66) CYP1A2CYP2D6RECQLCHRM2ALDH1A1
SCHEMBL3726232 0.82 CHRM2 (0.63) CYP1A2CYP2D6RECQLCHRM2ALDH1A1
SCHEMBL2861457 0.78 CYP1A2 (1.00) CYP1A2CYP2D6RECQLCHRM2ALDH1A1
SCHEMBL24996969 0.78 CYP1A2 (0.59) CYP1A2CYP2D6RECQLCHRM2ALDH1A1
SCHEMBL13154263 0.78 CYP1A2 (0.59) CYP1A2CYP2D6RECQLCHRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150086655-A1 Morinda Citrifolia Juice Formulations Comprising Iridoids WEST BRETT JUSTIN (US) 2015-03-26 US disclosed
US-8790727-B2 Morinda citrifolia and iridoid based formulations TAHITIAN NONI INTERNATIONAL, INC. (US) 2014-07-29 US disclosed
US-8679550-B2 Morinda citrifolia juice formulations comprising iridoids TAHITIAN NONI INTERNATIONAL, INC. (US) 2014-03-25 US disclosed
US-20120328720-A1 Iridoid Based Formulations MORINDA, INC. 2012-12-27 US disclosed
US-20120021079-A1 Garcinia Mangostana L. and Iridoid Based Formulations TAHITIAN NONI INTERNATIONAL, INC. 2012-01-26 US disclosed
US-20110217394-A1 Iridoid Based Formulations WEST BRETT JUSTIN 2011-09-08 US disclosed
WO-2011106432-A2 MORINDA CITRIFOLIA AND IRIDOID BASED FORMULATIONS TAHITIAN NONI INTERNATIONAL, INC. (US) 2011-09-01 WO disclosed
WO-2011106423-A2 ACAI AND IRIDOID BASED FORMULATIONS TAHITIAN NONI INTERNATIONAL, INC. (US) 2011-09-01 WO disclosed
WO-2011106448-A2 IRIDOID BASED FORMULATIONS TAHITIAN NONI INTERNATIONAL, INC. (US) 2011-09-01 WO disclosed
US-20110206786-A1 Acai and Iridoid Based Formulations TAHITIAN NONI INTERNATIONAL, INC. 2011-08-25 US disclosed
US-20110206787-A1 Morinda Citrifolia and Iridoid Based Formulations MORINDA, INC. 2011-08-25 US disclosed