SCHEMBL9110801

SCHEMBL9110801

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 3/20 0.56
MAPT P10636 5/20 0.54
MAOB P27338 4/20 0.54
RAB9A P51151 3/20 0.54
MAOA P21397 2/20 0.54
CXCL12 P48061 1/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
P4HB P07237 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CALM1 P0DP23 1/20 0.53
XDH P47989 1/20 0.53
CYP1B1 Q16678 2/20 0.52
ALDH2 P05091 1/20 0.52
CYP3A4 P08684 1/20 0.52
HSPD1 P10809 1/20 0.52
CYP19A1 P11511 1/20 0.52
HSPE1 P61604 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL9110769 0.88 MAPT (0.55) F3MAPTMAOBRAB9AMAOA
SCHEMBL9110762 0.88 MAPT (0.55) F3MAPTMAOBRAB9AMAOA
SCHEMBL9112835 0.88 MAPT (0.62) F3MAPTMAOBRAB9AMAOA
SCHEMBL9112454 0.87 KRAS (0.64) F3MAPTMAOBRAB9AMAOA
SCHEMBL9112453 0.85 F3 (0.54) F3MAPTMAOBRAB9AMAOA
SCHEMBL9112491 0.85 MAOB (0.64) F3MAPTMAOBRAB9AMAOA
SCHEMBL9116020 0.84 MAPT (0.64) MAPTMAOBRAB9AMAOAPOLB
SCHEMBL9114795 0.83 ABCG2 (0.50) F3MAPTMAOBRAB9AMAOA
SCHEMBL9113404 0.83 ABCG2 (0.66) F3MAPTMAOBRAB9AMAOA
SCHEMBL9114787 0.83 ABCG2 (0.50) F3MAPTMAOBRAB9AMAOA

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