SCHEMBL6989993

SCHEMBL6989993

C/C(C(=O)O)=C(/C)c1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.60
NR4A2 P43354 1/20 0.60
NR4A3 Q92570 1/20 0.60
CDC25B P30305 2/20 0.53
PLK1 P53350 1/20 0.53
MMP3 P08254 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
PTPN1 P18031 1/20 0.49
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL5082384 1.00 NR4A1 (0.60) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL11909813 0.85 NR4A1 (0.60) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL766944 0.84 KDM4E (0.57) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL28379027 0.84 NR4A1 (0.53) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL29117786 0.81 PLK1 (0.53) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL6514661 0.80 PTPN1 (0.53) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL6514650 0.80 PTPN1 (0.53) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL4624841 0.80 NR4A1 (0.53) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL7559405 0.79 MEN1 (0.47) NR4A1NR4A2NR4A3CDC25BMEN1
Naphthoic Acid SCHEMBL6442333 0.79 NR4A1 (0.88) NR4A1NR4A2NR4A3CDC25BPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973636-B1 TRANSPARENT ARTICLE WITH RADIAL REFRACTIVE INDEX GRADIENT AND PROCESS FOR ITS MANUFACTURE ESSILOR INT (FR) 2003-01-02 EP claimed