SCHEMBL8008157

SCHEMBL8008157

[CH]C(C)(c1ccc(OCCCC=C(C)C(=O)O)cc1)c1ccc(OCCCC=C(C)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.43
ALDH1A1 P00352 9/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 1/20 0.43
POLB P06746 3/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARA Q07869 1/20 0.41
MITF O75030 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL27199826 0.89 KDM4E (0.54) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL819986 0.81 L3MBTL1 (0.53) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3865671 0.79 L3MBTL1 (0.47) ALDH1A1GAAL3MBTL1
SCHEMBL866542 0.78 KDM4E (0.60) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL6851313 0.78 MAPT (0.43) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL4828682 0.77 KCNA3 (0.52) KDM4EALDH1A1GAASMN1; SMN2TDP1
SCHEMBL17237835 0.76 NR5A1 (0.53) GAAL3MBTL1
SCHEMBL17237799 0.76 NR5A1 (0.53) GAAL3MBTL1
SCHEMBL17555973 0.76 L3MBTL1 (0.50) GAAL3MBTL1
SCHEMBL17556007 0.76 L3MBTL1 (0.50) GAAL3MBTL1

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
US-6147136-A CURING; FREE RADICAL OR CATIONIC POLYMERIZATION; CEMENTING ESPE DENTAL AG (DE) 2000-11-14 US disclosed
US-6075068-A RAPID POLYMERIZATION PROCESS, LEADING TO PARTIALLY OR FULLY CURED MATERIALS WHICH EXHIBIT LITTLE VOLUME SHRINKAGE, LITTLE ABRASION TENDENCY AND GOOD MECHANICAL PROPERTIES ESPE DENTAL AG (DE) 2000-06-13 US disclosed