SCHEMBL9112453

SCHEMBL9112453

CC(C)Oc1cc(C=CC(=O)c2ccc(O)cc2)cc(OC(C)C)c1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 3/20 0.54
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
MAPT P10636 5/20 0.51
RAB9A P51151 3/20 0.51
MAOB P27338 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAOA P21397 2/20 0.51
P4HB P07237 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
CALM1 P0DP23 1/20 0.51
XDH P47989 1/20 0.51
CYP1B1 Q16678 2/20 0.50
ALDH2 P05091 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSPD1 P10809 1/20 0.50

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
SCHEMBL9114646 0.88 KRAS (0.62) F3MAPTRAB9AMAOBMEN1
SCHEMBL9114064 0.87 MAPT (0.56) F3PDE4APDE4BPDE4CPDE4D
SCHEMBL9114069 0.87 MAPT (0.56) F3PDE4APDE4BPDE4CPDE4D
SCHEMBL9112835 0.86 MAPT (0.62) F3MAPTRAB9AMAOBMEN1
SCHEMBL9113547 0.85 MAPT (0.61) MAPTRAB9AMAOBKMT2AMAOA
SCHEMBL9110801 0.85 F3 (0.56) F3MAPTRAB9AMAOBMEN1
SCHEMBL9112035 0.83 CAPN1 (0.48) F3MAPTRAB9AMAOBMEN1
SCHEMBL9112592 0.83 ABCG2 (0.60) MAPTMAOBMAOAALDH1A1CYP1B1
SCHEMBL9112491 0.82 MAOB (0.64) F3PDE4APDE4BPDE4CPDE4D
SCHEMBL9240017 0.82 SLC5A1 (0.48) MAPTMAOBMAOAALDH1A1CYP1B1

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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed