SCHEMBL5569145

SCHEMBL5569145

O=CCc1ccc(Oc2ccc(F)cc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.48
PNLIP P16233 1/20 0.44
PTGER4 P35408 2/20 0.40
PTGER2 P43116 1/20 0.40
NR3C1 P04150 1/20 0.40
ALOX5 P09917 1/20 0.39
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MET P08581 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN4A P35499 1/20 0.38
PPARD Q03181 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL5563797 0.81 LTA4H (0.47) HSPB1ALDH1A1L3MBTL1SCN9ASCN4A
SCHEMBL14656214 0.80 TTR (0.51) HSPB1PNLIPPTGER4PTGER2NR3C1
SCHEMBL11990070 0.80 HSPB1 (0.46) HSPB1CARM1PRMT6
SCHEMBL6142767 0.77 ALDH1A1 (0.51) HSPB1PNLIPALDH1A1L3MBTL1SCN9A
SCHEMBL30816847 0.77 ALDH1A1 (0.51) HSPB1PNLIPALDH1A1L3MBTL1SCN9A
SCHEMBL875731 0.77 MRGPRX4 (0.40) SCN9APPARD
SCHEMBL874054 0.76 ALDH1A1 (0.49) ALDH1A1PPARD
SCHEMBL6908530 0.74 LMNA (0.42) KMT2ALTA4HEPHX2
SCHEMBL1812946 0.73 KDM1A (0.45) ALDH1A1L3MBTL1PPARD
SCHEMBL4370586 0.73 HSPB1 (0.54) HSPB1NR3C1SCN4AROCK2ROCK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173169-A4 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2007-04-04 EP disclosed
EP-1173169-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-01-23 EP disclosed
WO-2000057877-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-05 WO disclosed