SCHEMBL12663239

SCHEMBL12663239

C=C(C)c1cc(C)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
ACHE P22303 2/20 0.39
PTPN1 P18031 1/20 0.39
MAPT P10636 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
ELANE P08246 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3791075 0.87 ALDH1A1 (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL16956058 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4ACHEPTPN1MAPT
SCHEMBL716226 0.79 TPMT (0.48) ALDH1A1CYP3A4ACHEMAPTGLA
SCHEMBL12020820 0.79 LMNA (0.48) ALDH1A1CYP3A4ABCG2NPC1RAB9A
SCHEMBL16956465 0.79 CYP3A4 (0.36) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL309826 0.78 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL22991518 0.78 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9419478 0.77 TPMT (0.46) ALDH1A1ACHEGLAHPGD
SCHEMBL16953671 0.76 CYP3A4 (0.38) ALDH1A1CYP3A4ACHEPTPN1MAPT
SCHEMBL19295887 0.76 CYP3A4 (0.38) ALDH1A1CYP3A4ACHEPTPN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 EP disclosed