SCHEMBL3665020

SCHEMBL3665020

CNc1cccc(CCCO)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
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
SLC16A3 O15427 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
AR P10275 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
CYP2D6 P10635 3/20 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
SCHEMBL3671725 0.84 AR (0.37) FABP3FABP4FABP5CCNCCDK8
Hydrochloric Acid SCHEMBL3664999 0.83 AR (0.36) FABP3FABP4FABP5CCNCCDK8
SCHEMBL1896069 0.82 MTNR1A (0.38) FABP3FABP4FABP5CCNCCDK8
SCHEMBL16113864 0.82 TRPV1 (0.38) SLC16A3KDM4EMAPTTSHRSLC6A2
SCHEMBL5315930 0.75 TRPV1 (0.40) SLC16A3ARKDM4EALDH1A1GAA
SCHEMBL3669718 0.72 FABP3 (0.38) FABP3FABP4FABP5HSD17B1HSD17B2
SCHEMBL27603742 0.70 SLC16A3 (0.39) SLC16A3ARKDM4EALDH1A1GAA
SCHEMBL8101979 0.68 HTR2A (0.47) HSD17B1HSD17B2SLC6A4ALOX5
Carbamic Acid SCHEMBL28108904 0.67 SLC16A3 (0.41) SLC16A3ARKDM4EALDH1A1GAA
SCHEMBL27310886 0.66 MTNR1A (0.43) KDM4EALDH1A1GAAHSD17B10MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2014159251-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2014-10-02 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