SCHEMBL1896065

SCHEMBL1896065

CCC(OC(C)=O)c1cccc(NC)c1-c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 1/20 0.36
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 2/20 0.33

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
SCHEMBL3669718 0.81 FABP3 (0.38) FABP3FABP4FABP5AKR1C3AKR1C2
SCHEMBL10120473 0.71 GLA (0.47) AKR1C3AKR1C2MTNR1A
SCHEMBL1896069 0.71 MTNR1A (0.38) FABP3FABP4FABP5SIRT2MTNR1A
SCHEMBL7353138 0.65 PTGS2 (0.46) ALDH1A1LMNAKDM4E
SCHEMBL3665020 0.65 FABP3 (0.38) FABP3FABP4FABP5SIRT2SLC6A2
SCHEMBL3671725 0.65 AR (0.37) FABP3FABP4FABP5SIRT2RAB9A
Hydrochloric Acid SCHEMBL3664999 0.64 AR (0.36) FABP3FABP4FABP5SIRT2RAB9A
SCHEMBL8372932 0.63 ALDH1A1 (0.40) ALDH1A1LMNAMAPTKDM4EHTT
SCHEMBL9404119 0.62 ALDH1A1 (0.39) NPC1RAB9APOLBCASP3SENP8
SCHEMBL173444 0.62 MMP12 (0.37) NPC1RAB9AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011056788-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-05-12 WO claimed
WO-2011056773-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-05-12 WO claimed
EP-2234960-A2 INHIBITING NEUROTRANSMITTER REUPTAKE Mayo Foundation for Medical Education and Research (US) 2010-10-06 EP claimed
WO-2009089479-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2009-07-16 WO claimed
WO-2011056773-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-05-12 WO disclosed
WO-2011056788-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-05-12 WO disclosed
EP-2234960-A2 INHIBITING NEUROTRANSMITTER REUPTAKE Mayo Foundation for Medical Education and Research (US) 2010-10-06 EP disclosed
WO-2009089479-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2009-07-16 WO disclosed