SCHEMBL9255486

SCHEMBL9255486

CC(=O)OCOC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=O)OCc3ccccc3)cc1C(=N)N)n2CCCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 5/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ENPP2 Q13822 1/20 0.40
CYP2D6 P10635 5/20 0.40
CYP2C9 P11712 5/20 0.40
CYP2C19 P33261 5/20 0.40
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
STING1 Q86WV6 2/20 0.39
CYP3A4 P08684 3/20 0.38
TP53 P04637 1/20 0.38
IDE P14735 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F10 P00742 1/20 0.38
GLA P06280 1/20 0.38
PLK1 P53350 1/20 0.38
NAMPT P43490 2/20 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
SCHEMBL9247668 0.94 EHMT2 (0.43) EHMT2ALDH1A1HPGDMAPTKDM4E
SCHEMBL9253406 0.94 EHMT2 (0.40) EHMT2ALDH1A1HPGDMAPTKDM4E
SCHEMBL9252259 0.91 EHMT2 (0.43) EHMT2ALDH1A1HPGDMAPTKDM4E
SCHEMBL9245966 0.89 F10 (0.37) EHMT2ALDH1A1HPGDMAPTKDM4E
SCHEMBL9248676 0.88 ALDH1A1 (0.39) EHMT2ALDH1A1HPGDMAPTKDM4E
SCHEMBL9254678 0.86 EHMT2 (0.47) EHMT2ALDH1A1HPGDMAPTKDM4E
SCHEMBL9252687 0.86 JAK2 (0.45) EHMT2ALDH1A1HPGDMAPTKDM4E
SCHEMBL9255481 0.82 PTGER4 (0.41) EHMT2ALDH1A1HPGDMAPTKDM4E
SCHEMBL9251437 0.82 ENPP2 (0.43) EHMT2ALDH1A1HPGDMAPTKDM4E
SCHEMBL9252106 0.79 JAK2 (0.44) EHMT2ALDH1A1HPGDMAPTKDM4E

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-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed