SCHEMBL8096702

SCHEMBL8096702

COc1cccc2c1C=C(CC1CNC(OC(=O)/C=C/C(=O)OC3=NC(CC4=Cc5c(cccc5OC)CC4)CN3)=N1)CC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.32
PARP1 P09874 1/20 0.32
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 3/20 0.31
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
MTNR1A P48039 3/20 0.30
MTNR1B P49286 3/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
LMNA P02545 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8092828 0.88 ADRA2A (0.33) ADRA2A
SCHEMBL8092589 0.86 ADRA2A (0.47) ADRA2A
SCHEMBL8091875 0.81 ADRA2A (0.43) ADRA2ACYP19A1
SCHEMBL8085006 0.81 ADRA2A (0.43) ADRA2ACYP19A1
SCHEMBL8092401 0.81 ADRA2A (0.43) ADRA2ACYP19A1
SCHEMBL8084748 0.78 CYP11B2 (0.39) ADRA2AMTNR1AMTNR1BCYP19A1
Fumaric Acid SCHEMBL8096698 0.77 ADRA2A (0.34) ADRA2APARP1ALDH1A1KDM4EMAPT
Fumaric Acid SCHEMBL8096703 0.77 ADRA2A (0.34) ADRA2APARP1ALDH1A1KDM4EMAPT
SCHEMBL8097510 0.76 ADRA2A (0.47) ADRA2A
SCHEMBL8093366 0.76 ADRA2A (0.33) ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed