SCHEMBL7806599

SCHEMBL7806599

CCOC(=O)c1ccc(OCCO)cc1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
CSNK1D P48730 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARG P37231 3/20 0.43
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 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
SCHEMBL7814321 0.87 JAK2 (0.47) JAK2JAK3TRPM8TDP1L3MBTL1
SCHEMBL5991814 0.80 LMNA (0.47) JAK2JAK3CSNK1DALDH1A1LMNA
SCHEMBL10946326 0.77 CA12 (0.65) ALDH1A1LMNATDP1L3MBTL1POLB
SCHEMBL16438615 0.77 JAK2 (0.48) JAK2JAK3TRPM8L3MBTL1SMN1; SMN2
SCHEMBL30407 0.76 JAK2 (0.56) JAK2JAK3CSNK1DALDH1A1LMNA
SCHEMBL5988980 0.75 LMNA (0.43) JAK2JAK3CSNK1DALDH1A1LMNA
SCHEMBL9834477 0.75 PPARG (0.46) ALDH1A1LMNATDP1L3MBTL1POLB
SCHEMBL15333820 0.73 JAK2 (0.53) JAK2JAK3CSNK1DALDH1A1LMNA
SCHEMBL28335524 0.72 TRPM8 (0.47) JAK2JAK3CSNK1DALDH1A1LMNA
SCHEMBL30664877 0.72 MAPK14 (0.59) ALDH1A1MEN1MAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077929-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
WO-1999061410-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-02 WO disclosed