SCHEMBL8546144

SCHEMBL8546144

C=CCOc1cc(C(=O)OCC)cc(OCC=C)c1OCC=C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
HSD17B2 P37059 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
ABCB1 P08183 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAOA P21397 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL16742125 0.90 LMNA (0.52) KDM4ECA12CA1CA2CA7
SCHEMBL25233675 0.89 CYP3A4 (0.46) KDM4EMEN1KMT2ATSHRABCB1
SCHEMBL5152746 0.85 HSD17B2 (0.51) KDM4ECA12CA1CA2CA7
SCHEMBL8547102 0.85 KDM4E (0.52) KDM4EABCB1PTGS1PTGS2SMN1; SMN2
SCHEMBL14211106 0.84 KDM4E (0.50) KDM4ECA12CA1CA2CA7
SCHEMBL25695892 0.83 KDM4E (0.41) KDM4EMEN1KMT2ATSHRABCB1
SCHEMBL12126791 0.82 HSD17B2 (0.55) KDM4ECA12CA1CA2CA7
SCHEMBL6580057 0.82 HSD17B2 (0.67) KDM4ECA12CA1CA2CA7
SCHEMBL20391513 0.81 CA12 (0.50) KDM4ECA12CA1CA2CA7
SCHEMBL27797045 0.80 TSHR (0.66) KDM4ECA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584085-B1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD (GB) 1998-09-09 EP disclosed
US-5554606-A THIENAMYCIN DERIVATIVES; PSEUDOMONAS ZENECA LIMITED (GB) 1996-09-10 US disclosed
EP-0584085-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LIMITED (GB) 1994-03-02 EP disclosed
WO-1992017479-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 WO disclosed