SCHEMBL3939490

SCHEMBL3939490

O=CCc1ccc2c(c1)CCS2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SLC5A2 P31639 2/20 0.36
VHL P40337 1/20 0.34
ELOC Q15369 1/20 0.34
ELOB Q15370 1/20 0.34
SLC6A4 P31645 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
CTSL P07711 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
SCHEMBL5757690 0.78 SLC5A2 (0.42) LMNAMAPTSLC5A2VHLELOC
SCHEMBL14172986 0.78 CTSL (0.46) LMNAMAPTSLC5A2VHLELOC
SCHEMBL1861656 0.76 AKR1B1 (0.50) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL25569782 0.75 AKR1B1 (0.36) LMNAMAPTSLC5A2SLC6A4ALDH1A1
SCHEMBL4824838 0.74 ALDH1A1 (0.40) MAPTVHLELOCELOBSLC6A4
SCHEMBL6242819 0.74 SLC6A4 (0.38) LMNAMAPTSLC5A2VHLELOC
SCHEMBL25569512 0.72 HTR1A (0.36) LMNAMAPTSLC5A2SLC6A4ALDH1A1
SCHEMBL25569783 0.72 LMNA (0.35) LMNAMAPTSLC5A2SLC6A4ALDH1A1
SCHEMBL1863391 0.71 ALDH1A1 (0.47) MAPTSLC6A4ALDH1A1
SCHEMBL27765592 0.71 CYP3A4 (0.49) LMNAMAPTSLC5A2SLC6A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed