SCHEMBL8561072

SCHEMBL8561072

CC(C)Oc1ccc(Cl)c(C(=O)O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KMO O15229 3/20 0.46
RORC P51449 2/20 0.45
DPP4 P27487 1/20 0.44
ELANE P08246 1/20 0.42
KMT2A Q03164 1/20 0.41
CSNK2A1 P68400 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LDHA P00338 2/20 0.36
ACHE P22303 1/20 0.36
LDHB P07195 1/20 0.36

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
SCHEMBL29780531 0.81 RORC (0.44) ALDH1A1KDM4EHSD17B10KMORORC
SCHEMBL8564952 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10KMODPP4
SCHEMBL27649565 0.79 RORC (0.51) ALDH1A1KDM4EHSD17B10KMORORC
SCHEMBL7299393 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10ELANEKMT2A
SCHEMBL2617466 0.73 ALDH1A1 (0.47) ALDH1A1KMORORCKMT2ACSNK2A1
2,3,6-Trichlorobenzoic Acid SCHEMBL117071 0.72 DPP4 (0.62) ALDH1A1KDM4EHSD17B10DPP4CSNK2A1
2,3,6-Trichlorobenzoic Acid SCHEMBL29365114 0.72 DPP4 (0.62) ALDH1A1KDM4EHSD17B10DPP4CSNK2A1
SCHEMBL21121080 0.72 IRAK4 (0.53) ALDH1A1KDM4EHSD17B10KMOKMT2A
SCHEMBL403840 0.72 RORC (0.56) ALDH1A1KDM4EKMORORCKMT2A
SCHEMBL15658321 0.72 TSHR (0.53) ALDH1A1KDM4EKMORORCKMT2A

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