SCHEMBL4616306

SCHEMBL4616306

CCC(=O)c1cc(F)c(O)c(F)c1.CCC(=O)c1cc(F)c(OCc2ccccc2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
EGFR P00533 3/20 0.44
GLRA1 P23415 1/20 0.43
BRD4 O60885 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL3815690 0.95 SMN1; SMN2 (0.56) SMN1; SMN2HPGDRAB9ANPC1LMNA
SCHEMBL15969027 0.80 MEN1 (0.63) HPGDLMNAFFAR4THRATHRB
SCHEMBL6811950 0.79 SMN1; SMN2 (0.57) SMN1; SMN2HPGDRAB9ANPC1LMNA
SCHEMBL19124684 0.78 LMNA (0.74) SMN1; SMN2HPGDRAB9ANPC1LMNA
SCHEMBL3085193 0.78 MAPT (0.47) SMN1; SMN2HPGDLMNAMAPTALDH1A1
SCHEMBL25922476 0.77 GLRA1 (0.63) SMN1; SMN2HPGDRAB9ANPC1LMNA
SCHEMBL8843690 0.77 SMN1; SMN2 (0.73) SMN1; SMN2HPGDRAB9ANPC1LMNA
SCHEMBL9823890 0.76 KDM1A (0.50) HPGDNPC1LMNAFFAR4THRA
SCHEMBL10770964 0.76 MEN1 (0.71) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL7809050 0.76 KMT2A (0.57) SMN1; SMN2HPGDRAB9ANPC1MAPT

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-1915364-A1 PYRAZOLE DERIVATIVES AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007020388-A1 PYRAZOLE DERIVATIVES AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed
EP-1718617-A2 3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS AstraZeneca AB (SE) 2006-11-08 EP disclosed
WO-2005080343-A2 3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS ASTRAZENECA AB (SE) 2005-09-01 WO disclosed