SCHEMBL9255481

SCHEMBL9255481

CC(=O)OCOC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)NC(=O)OCc3ccccc3)cc1)n2CCCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.41
NAMPT P43490 2/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 5/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 4/20 0.40
CYP2D6 P10635 5/20 0.39
CYP2C9 P11712 5/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 4/20 0.39
EHMT2 Q96KQ7 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSSK1B Q9BXA7 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
EHMT1 Q9H9B1 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
SCHEMBL9247664 0.94 PTGER4 (0.43) PTGER4NAMPTALDH1A1HPGDMAPT
SCHEMBL9253401 0.93 PTGER4 (0.40) PTGER4NAMPTALDH1A1HPGDMAPT
SCHEMBL9252252 0.91 PTGER4 (0.42) PTGER4NAMPTALDH1A1HPGDMAPT
SCHEMBL9252687 0.89 JAK2 (0.45) PTGER4NAMPTALDH1A1HPGDMAPT
SCHEMBL9245964 0.88 CYP1A2 (0.37) PTGER4NAMPTALDH1A1HPGDMAPT
SCHEMBL9248672 0.88 PTGER4 (0.40) PTGER4NAMPTALDH1A1HPGDMAPT
SCHEMBL9254674 0.87 PTGER4 (0.44) PTGER4NAMPTALDH1A1HPGDMAPT
SCHEMBL9255486 0.82 EHMT2 (0.41) NAMPTALDH1A1HPGDMAPTKDM4E
SCHEMBL9252106 0.82 JAK2 (0.44) PTGER4NAMPTALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL9255414 0.81 JAK2 (0.44) PTGER4NAMPTALDH1A1HPGDMAPT

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