SCHEMBL4439660

SCHEMBL4439660

O=C(O)c1ccc(C(c2cccc(F)c2)c2cccc(F)c2)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
DCLRE1B Q9H816 1/20 0.38
CNR2 P34972 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DHODH Q02127 2/20 0.36
NOTUM Q6P988 1/20 0.35
EPHX1 P07099 1/20 0.35
IGFBP3 P17936 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
PIN1 Q13526 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL4427283 0.84 KDM4E (0.47) KDM4EHDAC4HDAC7HDAC5CES2
SCHEMBL4427252 0.84 KDM4E (0.53) KDM4EMEN1KMT2ANAPRTGAA
SCHEMBL4430946 0.83 HSD17B2 (0.46) KDM4EMEN1KMT2ADHODHNOTUM
SCHEMBL4429520 0.75 KDM4E (0.42) KDM4ENAPRTGAA
SCHEMBL4428130 0.74 KDM4E (0.46) KDM4ECES2CES1CNR2KMT2A
SCHEMBL4428254 0.73 HSD17B2 (0.49) KDM4ECES2CES1MEN1KMT2A
SCHEMBL3071414 0.72 KDM4E (0.49) KDM4EKMT2ANAPRTGAA
SCHEMBL4438623 0.69 HCAR2 (0.54) KDM4EDCLRE1B
SCHEMBL5124119 0.69 KDM4E (0.49) KDM4ENAPRTGAA
SCHEMBL4436626 0.69 CFTR (0.46) KDM4ECES2MEN1KMT2AGAA

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-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed