SCHEMBL9114064

SCHEMBL9114064

Cc1c(OC(C)C)cc(/C=C/C(=O)c2ccc(O)cc2)cc1OC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
RAB9A P51151 2/20 0.56
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
POLB P06746 1/20 0.56
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
F3 P13726 3/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
P4HB P07237 2/20 0.52
CALM1 P0DP23 1/20 0.52
ALDH1A1 P00352 1/20 0.52
XDH P47989 1/20 0.52
CTSL P07711 2/20 0.52
TDP1 Q9NUW8 2/20 0.51

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
SCHEMBL9114069 1.00 MAPT (0.56) MAPTRAB9AMAOAMAOBPOLB
SCHEMBL9112453 0.87 F3 (0.54) MAPTRAB9AMAOAMAOBPOLB
SCHEMBL9113831 0.86 KRAS (0.67) MAPTRAB9AMAOAMAOBPDE4A
SCHEMBL9113836 0.86 KRAS (0.67) MAPTRAB9AMAOAMAOBPDE4A
SCHEMBL9115163 0.85 ABCG2 (0.50) MAPTRAB9AMAOAMAOBPOLB
SCHEMBL9115032 0.85 ABCG2 (0.50) MAPTRAB9AMAOAMAOBPOLB
SCHEMBL9114535 0.84 MAPT (0.57) MAPTRAB9AMAOAMAOBPOLB
SCHEMBL9115255 0.84 PTPN1 (0.51) MAPTRAB9AMAOAMAOBPOLB
SCHEMBL9115244 0.84 PTPN1 (0.51) MAPTRAB9AMAOAMAOBPOLB
SCHEMBL9115186 0.83 MAPT (0.67) MAPTRAB9AMAOAMAOBPOLB

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