SCHEMBL5982873

SCHEMBL5982873

CCC(=O)N(CCC(=O)Cc1cccc(C(F)(F)F)c1)NCCc1ccc(C(=O)OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
USP2 O75604 2/20 0.38
CYP3A4 P08684 2/20 0.38
NR1I2 O75469 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL4946083 0.94 HDAC1 (0.39) KDM4ETDP1MEN1KMT2AHDAC1
SCHEMBL5982971 0.84 CYP3A4 (0.43) KDM4ETDP1MEN1KMT2AUSP2
SCHEMBL5616680 0.81 CYP3A4 (0.43) KDM4ETDP1MEN1KMT2AUSP2
SCHEMBL5982721 0.75 PTGER4 (0.51) KDM4ETDP1MEN1KMT2AUSP2
SCHEMBL5982869 0.75 USP2 (0.42) KDM4ETDP1MEN1KMT2AHDAC1
SCHEMBL20897899 0.74 KDM4E (0.66) KDM4ETDP1MEN1KMT2AHDAC1
SCHEMBL4937190 0.71 PTGER4 (0.51) KDM4ETDP1USP2CYP3A4NR1I2
SCHEMBL2128961 0.71 MAOB (0.52) HDAC1HDAC8USP2CYP3A4NR1I2
SCHEMBL22442339 0.71 MGLL (0.53) HDAC1HDAC8USP2CYP3A4NR1I2
SCHEMBL20897896 0.69 MAPT (0.53) KDM4EHDAC1MAPTPOLBRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654219-A2 HYDRAZIDE DERIVATIVES AS PROSTAGLANDIN RECEPTORS MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005012232-A2 HYDRAZIDE DERIVATIVES AS PROSTAGLANDIN RECEPTORS MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO disclosed