SCHEMBL14033869

SCHEMBL14033869

O=C1/C(=C/c2ccc(-c3ccc(/C=C4\CCc5ccccc5C4=O)cc3)cc2)CCc2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.81
MIF P14174 8/20 0.77
CYP19A1 P11511 3/20 0.72
PKM P14618 3/20 0.72
CYP11B2 P19099 1/20 0.72
MAPK1 P28482 1/20 0.72
MAPT P10636 6/20 0.69
RAB9A P51151 3/20 0.69
CASP3 P42574 3/20 0.69
SENP8 Q96LD8 3/20 0.69
SENP7 Q9BQF6 3/20 0.69
SENP6 Q9GZR1 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
NPC1 O15118 2/20 0.66
KDM4E B2RXH2 1/20 0.66
CYP26A1 O43174 1/20 0.66
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.62

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
SCHEMBL29679848 0.90 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL29546151 0.90 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL980327 0.90 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL820654 0.90 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL29546087 0.90 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL15153677 0.90 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL8543003 0.87 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL8548101 0.87 MAOB (0.77) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL21169395 0.87 MIF (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL8548104 0.87 MAOB (0.77) MAOBMIFCYP19A1PKMCYP11B2

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
US-7432400-B2 Biphenylene compounds CIBA SPECIALTY CHEMICALS CORP. (US) 2008-10-07 US disclosed
US-7432400-B2 Biphenylene compounds CIBA SPECIALTY CHEMICALS CORP. (US) 2008-10-07 US disclosed