SCHEMBL8563626

SCHEMBL8563626

CC(C)Oc1ccc(Cl)c(CO)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.44
RORC P51449 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
NOTUM Q6P988 1/20 0.36
KMO O15229 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LDHA P00338 3/20 0.34
LDHB P07195 2/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
EZH2 Q15910 1/20 0.33
MAP4K4 O95819 1/20 0.32
PRKCD Q05655 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL320556 0.79 RORC (0.39) RORCMEN1KMT2ALMNANOTUM
SCHEMBL8568386 0.74 CSNK2A1 (0.38) CSNK2A1RORCMEN1KMT2ALMNA
SCHEMBL6637959 0.74 CLCN2 (0.46) RORCMEN1KMT2ANOTUM
SCHEMBL3722004 0.71 CSNK2A1 (0.70) CSNK2A1RORCMEN1KMT2ALMNA
SCHEMBL16954261 0.71 ADRB3 (0.39) CSNK2A1MEN1KMT2ALMNAKDM4E
SCHEMBL11677898 0.71 NOTUM (0.47) MEN1KMT2ALMNANOTUMGABRA1
SCHEMBL8561072 0.70 ALDH1A1 (0.47) CSNK2A1RORCKMT2ALMNAKMO
SCHEMBL2522649 0.69 HTR2C (0.46) LMNANOTUMKDM4E
SCHEMBL25374465 0.69 NOTUM (0.42) MEN1KMT2ALMNANOTUMKDM4E
SCHEMBL28415698 0.68 NOTUM (0.42) LMNANOTUMGABRA1GABRG2GABRB3

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-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed