SCHEMBL8577492

SCHEMBL8577492

COC(=O)CCc1ccc(N(CCOC2CCCCO2)C(=O)C(F)(F)F)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MGLL Q99685 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
P2RX3 P56373 1/20 0.33
EPHX1 P07099 1/20 0.33
APOBEC3A P31941 1/20 0.33
HTT P42858 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CDK8 P49336 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8573309 0.91 MGLL (0.37) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL8575590 0.91 MGLL (0.35) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL8575515 0.91 MGLL (0.35) MEN1KMT2ANPC1RAB9AMGLL
SCHEMBL8571517 0.88 MGLL (0.34) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL7281000 0.86 MGLL (0.40) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL7283723 0.81 MEN1 (0.40) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL9135470 0.77 MEN1 (0.33) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL1586470 0.72 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMGLL
SCHEMBL30928883 0.72 MEN1 (0.42) MEN1KMT2AMGLLKDM4EALDH1A1
SCHEMBL7101987 0.72 KCNA5 (0.36) MEN1KMT2ANPC1RAB9AMGLL

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
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed