SCHEMBL9548052

SCHEMBL9548052

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)[CH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX15 P16050 1/20 0.55
GAA P10253 3/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 7/20 0.50
TSHR P16473 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
ABCC1 P33527 1/20 0.46
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46
ADORA3 P0DMS8 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL4045529 0.71 TSHR (0.61) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL3503405 0.71 KDM4E (1.00) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL95164 0.71 KDM4E (1.00) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL9548059 0.71 KDM4E (0.55) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL13234140 0.71 KDM4E (0.55) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL7817206 0.69 KDM4E (0.88) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL1007130 0.69 ALDH1A1 (0.73) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL21689051 0.68 KDM4E (0.43) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL2257837 0.68 KDM4E (0.52) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL3323518 0.68 GAA (1.00) KDM4ELMNAMAPTMEN1KMT2A

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-5217971-A Anticoagulants, hypotensive agents, antiallergens and antiinflammatory agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-08 US disclosed
EP-0377457-A1 Thiazole compounds, processes for the preparation thereof, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-11 EP disclosed