SCHEMBL7895282

SCHEMBL7895282

C=C(C)C(=O)OCCOc1ccccc1-c1ccc(C(C)(C)c2ccc(-c3ccccc3OCCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 11/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
USP2 O75604 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR7 P34969 1/20 0.38
GAA P10253 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
SCHEMBL7524394 0.87 KDM4E (0.55) ALDH1A1KDM4ESMN1; SMN2USP2MEN1
SCHEMBL29550232 0.87 KDM4E (0.55) ALDH1A1KDM4ESMN1; SMN2USP2MEN1
SCHEMBL1232016 0.86 PTGDR2 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1938350 0.84 THRB (0.46) ALDH1A1KDM4ESMN1; SMN2USP2MEN1
SCHEMBL25123525 0.84 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2USP2MEN1
SCHEMBL25796435 0.84 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2USP2MEN1
SCHEMBL29315511 0.81 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL10580556 0.80 THRB (0.50) ALDH1A1KDM4ESMN1; SMN2KMT2AHTT
SCHEMBL3182430 0.80 KDM4E (0.56) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL29315515 0.80 KDM4E (0.56) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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
US-6187897-B1 USEFUL IN COATING AND PRINTING; CURABLE BY ANY ONE OF CONVENTIONAL TRIGGERS SUCH AS HEATING, ULTRAVIOLET LIGHT, INFRARED LIGHT, ELECTRON BEAMS AND GAMMA RAYS TOYO INK MANUFACTURING CO., LTD. (JP) 2001-02-13 US disclosed