SCHEMBL4430994

SCHEMBL4430994

CCOC(=O)c1ccc(Cc2cc3ccccc3cc2OC)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 7/20 0.44
NPSR1 Q6W5P4 3/20 0.44
TP53 P04637 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 1/20 0.43
MDM2 Q00987 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL4428250 0.86 KDM4E (0.54) KDM4ESMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL24953219 0.82 KDM4E (0.55) KDM4ELMNASMN1; SMN2MAPTPOLB
SCHEMBL4431889 0.77 ALDH1A1 (0.49) KDM4ELMNASMN1; SMN2MAPTPOLB
SCHEMBL4428256 0.77 MDM2 (0.44) KDM4ELMNAMAPTPOLBALDH1A1
SCHEMBL1127591 0.76 KDM4E (0.69) KDM4ELMNASMN1; SMN2MAPTPOLB
SCHEMBL10004025 0.74 ALDH1A1 (0.57) KDM4ELMNAMAPTPOLBALDH1A1
SCHEMBL4433040 0.73 MDM2 (0.41) KDM4ELMNASMN1; SMN2MAPTPOLB
SCHEMBL4429517 0.73 TSHR (0.46) KDM4ELMNAMAPTPOLBALDH1A1
SCHEMBL6339142 0.72 ALDH1A1 (0.53) KDM4ELMNASMN1; SMN2MAPTPOLB
SCHEMBL29522857 0.72 ALDH1A1 (0.53) KDM4ELMNASMN1; SMN2MAPTPOLB

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