SCHEMBL9110769

SCHEMBL9110769

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
MAOB P27338 3/20 0.55
RAB9A P51151 2/20 0.55
MAOA P21397 2/20 0.55
POLB P06746 1/20 0.55
F3 P13726 3/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CXCL12 P48061 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
P4HB P07237 2/20 0.51
CALM1 P0DP23 1/20 0.51
ALDH1A1 P00352 1/20 0.51
XDH P47989 1/20 0.51
CTSL P07711 2/20 0.51
TDP1 Q9NUW8 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
SCHEMBL9110762 1.00 MAPT (0.55) MAPTMAOBRAB9AMAOAPOLB
SCHEMBL9110801 0.88 F3 (0.56) MAPTMAOBRAB9AMAOAPOLB
SCHEMBL9113160 0.87 KRAS (0.66) MAPTMAOBRAB9AMAOAF3
SCHEMBL9113175 0.87 KRAS (0.66) MAPTMAOBRAB9AMAOAF3
SCHEMBL9114787 0.84 ABCG2 (0.50) MAPTMAOBRAB9AMAOAPOLB
SCHEMBL9113482 0.84 MAPT (0.65) MAPTMAOBRAB9AMAOAPOLB
SCHEMBL9113477 0.84 MAPT (0.65) MAPTMAOBRAB9AMAOAPOLB
SCHEMBL9114795 0.84 ABCG2 (0.50) MAPTMAOBRAB9AMAOAPOLB
SCHEMBL9114475 0.83 PTPN1 (0.51) MAPTMAOBRAB9AMAOAPOLB
SCHEMBL9114471 0.83 PTPN1 (0.51) MAPTMAOBRAB9AMAOAPOLB

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