SCHEMBL9803628

SCHEMBL9803628

CCC(CC=NO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
CCR5 P51681 1/20 0.38
MIF P14174 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
TRPA1 O75762 3/20 0.36
HKDC1 Q2TB90 1/20 0.36
AOC3 Q16853 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
CYP2D6 P10635 1/20 0.35
ATM Q13315 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL9803625 1.00 LMNA (0.44) LMNANOS3NOS2CCR5MIF
SCHEMBL27608796 0.78 HTR2A (0.41) LMNATRPA1TAAR1CYP2D6
SCHEMBL1111815 0.76 LMNA (0.45) LMNANOS3NOS2CCR5MIF
SCHEMBL5266639 0.76 LMNA (0.45) LMNANOS3NOS2CCR5TRPA1
SCHEMBL169508 0.75 LMNA (0.56) LMNANOS3NOS2CCR5MIF
SCHEMBL4864892 0.75 CCR5 (0.45) LMNACCR5MIFTAAR1CYP2D6
SCHEMBL4901936 0.75 CYP2C19 (0.48) LMNACCR5MIFHKDC1TAAR1
SCHEMBL5203967 0.75 LMNA (0.43) LMNANOS3NOS2CCR5MIF
SCHEMBL464510 0.75 CCR5 (0.45) LMNACCR5MIFTAAR1CYP2D6
SCHEMBL2133730 0.75 CYP2C19 (0.48) LMNACCR5MIFHKDC1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417167-A1 PROCESS FOR THE SYNTHESIS OF O-SUBSTITUTED OXIME COMPOUNDS AlliedSignal Inc. (US) 1991-03-20 EP disclosed
WO-1989011473-A1 PROCESS FOR THE SYNTHESIS OF O-SUBSTITUTED OXIME COMPOUNDS ALLIED-SIGNAL INC. (US) 1989-11-30 WO disclosed
EP-0158159-B1 PROCESS FOR THE SYNTHESIS OF O-SUBSTITUTED OXIME COMPOUNDS AND THE CONVERSION THEREOF INTO THE CORRESPONDING HYDROXYLAMINE O-SUBSTITUTED AlliedSignal Inc. (US) 1988-10-05 EP disclosed
US-4614813-A Process for the preparation of N-hydroxy organo imidate compounds ALLIED CORPORATION (US) 1986-09-30 US disclosed
EP-0158153-A2 Process for the preparation of N-hydroxy organo imidate compounds ALLIED CORPORATION (US) 1985-10-16 EP disclosed
EP-0158159-A1 Process for the synthesis of o-substituted oxime compounds and the conversion thereof into the corresponding hydroxylamine o-substituted AlliedSignal Inc. (US) 1985-10-16 EP disclosed