SCHEMBL14720355

SCHEMBL14720355

CCCCC1CC2C=CC1N(C(=O)O)C2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
TLR2 O60603 4/20 0.32
KDM4E B2RXH2 1/20 0.31
DPP4 P27487 2/20 0.30
MAPT P10636 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
SCHEMBL14720925 0.80
SCHEMBL16504627 0.78 SIGMAR1 (0.41) CYP3A4TSHR
SCHEMBL14734599 0.76 DPP4 (0.31) DPP4
SCHEMBL14720670 0.75 TSHR (0.38) TSHR
SCHEMBL14734583 0.72 CA1 (0.33) KDM4EMAPT
SCHEMBL8319536 0.71
SCHEMBL17357059 0.69 ATM (0.32)
SCHEMBL14720709 0.69 TSHR (0.40) TSHR
SCHEMBL8814744 0.66
SCHEMBL21195521 0.64

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
WO-2013028999-A1 SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-02-28 WO disclosed