SCHEMBL2360595

SCHEMBL2360595

C=C(C)C(=O)NN(N)CCCCC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
FAAH O00519 2/20 0.32
KDM5A P29375 4/20 0.32
KDM4C Q9H3R0 3/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
PHF8 Q9UPP1 3/20 0.31
ZDHHC20 Q5W0Z9 2/20 0.31
ZDHHC2 Q9UIJ5 2/20 0.31
DNM1 Q05193 3/20 0.31
EPHX1 P07099 2/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL2744545 0.79 TSHR (0.41) TSHRFAAHKDM5AKDM4CTHRA
Bromide SCHEMBL28446261 0.77 TSHR (0.40) TSHRFAAHKDM5AKDM4CTHRA
SCHEMBL9116946 0.77 CA12 (0.42) TSHRFAAHKDM5AKDM4CTHRA
SCHEMBL20392026 0.73 DNM1 (0.39) FAAHKDM5AKDM4CPHF8DNM1
SCHEMBL446847 0.72 TSHR (0.36) TSHRFAAHKDM5AKDM4CTHRA
SCHEMBL28029776 0.71 TSHR (0.33) TSHRTGFBR1
SCHEMBL3279368 0.71 KDM5A (0.37) TSHRFAAHKDM5AKDM4CTHRA
Hydrochloric Acid SCHEMBL16857677 0.71 TSHR (0.35) TSHRFAAHKDM5AKDM4CTHRA
SCHEMBL28825757 0.71 CA12 (0.37) TSHRTGFBR1
SCHEMBL27787735 0.71 CA1 (0.39) KDM5AKDM4CPHF8CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922087-B1 METHOD FOR THE PREPARATION OF POLYMERIC CONJUGATES OF DOXORUBICIN WITH PH-CONTROLLED RELEASE OF THE DRUG ZENTIVA KS (CZ) 2011-08-17 EP claimed
US-20080318879-A1 Method for the Preparation of Polymeric Conjugates of Doxorubicin with Ph-Controlled Release of the Drug ZENTIVA, A.S. (CZ) 2008-12-25 US claimed
EP-1922087-A2 METHOD FOR THE PREPARATION OF POLYMERIC CONJUGATES OF DOXORUBICIN WITH PH-CONTROLLED RELEASE OF THE DRUG Zentiva, a.s. (CZ) 2008-05-21 EP claimed
WO-2007028347-A2 METHOD FOR THE PREPARATION OF POLYMERIC CONJUGATES OF DOXORUBICIN WITH PH- CONTROLLED RELEASE OF THE DRUG ZENTIVA, A.S. (CZ) 2007-03-15 WO claimed
EP-1922087-B1 METHOD FOR THE PREPARATION OF POLYMERIC CONJUGATES OF DOXORUBICIN WITH PH-CONTROLLED RELEASE OF THE DRUG ZENTIVA KS (CZ) 2011-08-17 EP disclosed
US-20080318879-A1 Method for the Preparation of Polymeric Conjugates of Doxorubicin with Ph-Controlled Release of the Drug ZENTIVA, A.S. (CZ) 2008-12-25 US disclosed
EP-1922087-A2 METHOD FOR THE PREPARATION OF POLYMERIC CONJUGATES OF DOXORUBICIN WITH PH-CONTROLLED RELEASE OF THE DRUG Zentiva, a.s. (CZ) 2008-05-21 EP disclosed
WO-2007028347-A3 METHOD FOR THE PREPARATION OF POLYMERIC CONJUGATES OF DOXORUBICIN WITH PH- CONTROLLED RELEASE OF THE DRUG ZENTIVA AS (CZ) 2007-05-10 WO disclosed
WO-2007028347-A2 METHOD FOR THE PREPARATION OF POLYMERIC CONJUGATES OF DOXORUBICIN WITH PH- CONTROLLED RELEASE OF THE DRUG ZENTIVA, A.S. (CZ) 2007-03-15 WO disclosed