SCHEMBL11559934

SCHEMBL11559934

c1ccc(Oc2ccc(OCc3ccc4c(c3)OCO4)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.68
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MAOA P21397 6/20 0.57
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 2/20 0.54
GRM5 P41594 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL11698521 0.94 MAOB (0.71) MAOBNPC1RAB9AMAOAKMT2A
SCHEMBL11663617 0.88 MAOB (0.68) MAOBNPC1RAB9AMAOAKMT2A
SCHEMBL11613149 0.88 MAOB (0.73) MAOBNPC1RAB9AMAOAKMT2A
SCHEMBL11638309 0.87 NPC1 (0.60) MAOBNPC1RAB9AMAOAKMT2A
SCHEMBL11637466 0.85 MAOB (0.53) MAOBNPC1RAB9AMAOAKMT2A
SCHEMBL11636192 0.84 NPC1 (0.56) MAOBNPC1RAB9AMAOAKMT2A
SCHEMBL11616088 0.82 RAB9A (0.61) MAOBNPC1RAB9AMAOAKMT2A
SCHEMBL25568056 0.82 NPC1 (0.83) MAOBNPC1RAB9AMAOAKMT2A
SCHEMBL4731619 0.81 MAOB (1.00) MAOBNPC1RAB9AMAOAHPGD
SCHEMBL18415547 0.81 ALDH1A1 (0.71) MAOBNPC1RAB9AMAOAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4094989-A INSECTICIDES, MITICIDES CIBA-GEIGY CORPORATION (US) 1978-06-13 US claimed
US-4153731-A MITICIDE, INSECTICIDE CIBA-GEIGY CORPORATION (US) 1979-05-08 US disclosed
US-4094989-A INSECTICIDES, MITICIDES CIBA-GEIGY CORPORATION (US) 1978-06-13 US disclosed
US-3987102-A PHENOXY (BENZYLOXY) BENZENE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1976-10-19 US disclosed