SCHEMBL9114535

SCHEMBL9114535

CC(C)Oc1cc(C=CC(=O)c2ccc(O)cc2)cc(OC(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
F3 P13726 3/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
P4HB P07237 2/20 0.57
CALM1 P0DP23 1/20 0.57
ALDH1A1 P00352 1/20 0.57
XDH P47989 1/20 0.57
BCHE P06276 3/20 0.56
MAOB P27338 3/20 0.54
MAOA P21397 2/20 0.54
POLB P06746 1/20 0.54
ABCG2 Q9UNQ0 3/20 0.53
CYP1B1 Q16678 2/20 0.53
ALDH2 P05091 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53
CYP19A1 P11511 1/20 0.53
HSPE1 P61604 1/20 0.53

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
SCHEMBL25218081 0.87 MAPT (0.71) MAPTF3RAB9AMEN1KMT2A
SCHEMBL25217977 0.87 MAPT (0.71) MAPTF3RAB9AMEN1KMT2A
SCHEMBL9114069 0.84 MAPT (0.56) MAPTF3RAB9AMEN1KMT2A
SCHEMBL9114064 0.84 MAPT (0.56) MAPTF3RAB9AMEN1KMT2A
SCHEMBL9112457 0.84 MAPT (0.75) MAPTF3RAB9AMEN1KMT2A
SCHEMBL9112460 0.84 MAPT (0.75) MAPTF3RAB9AMEN1KMT2A
SCHEMBL9115664 0.81 SLC5A1 (0.51) MAPTALDH1A1MAOBMAOAABCG2
SCHEMBL9115658 0.81 SLC5A1 (0.51) MAPTALDH1A1MAOBMAOAABCG2
SCHEMBL25234601 0.81 MAOB (0.59) MAPTRAB9AMEN1KMT2AP4HB
SCHEMBL25204011 0.81 MAOB (0.59) MAPTRAB9AMEN1KMT2AP4HB

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