SCHEMBL6139977

SCHEMBL6139977

O=C(O)c1cc2cc(CCCCCc3cccc(O)c3)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.58
SRC P12931 1/20 0.54
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 3/20 0.53
SRD5A2 P31213 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
PLA2G4A P47712 1/20 0.51
CLK1 P49759 1/20 0.48
DYRK1A Q13627 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
PIN1 Q13526 1/20 0.47
PDPK1 O15530 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL6049346 0.83 SRC (0.47) SRCKDM4EHPGDHSD17B10SRD5A2
SCHEMBL6138803 0.82 SMAD3 (0.49) SMAD3SRCKDM4EHPGDHSD17B10
SCHEMBL15642858 0.81 PLA2G4A (0.67) SMAD3KDM4EHPGDHSD17B10SRD5A2
SCHEMBL28763528 0.78 SMAD3 (0.58) SMAD3KDM4EHPGDHSD17B10SRD5A2
SCHEMBL7168645 0.78 SMAD3 (0.63) SMAD3SRCKDM4EHPGDHSD17B10
SCHEMBL28793315 0.76 KDM4E (0.59) SMAD3KDM4EHPGDHSD17B10SRD5A2
SCHEMBL28474583 0.76 PIN1 (0.59) SMAD3KDM4EHPGDHSD17B10SRD5A2
SCHEMBL6512147 0.76 SMAD3 (0.57) SMAD3KDM4EHPGDHSD17B10SRD5A2
SCHEMBL2421110 0.76 SMAD3 (0.57) SMAD3KDM4EHPGDHSD17B10SRD5A2
SCHEMBL14168683 0.76 PIN1 (0.52) SMAD3KDM4EHPGDHSD17B10SRD5A2

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
EP-1311477-A4 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2005-01-12 EP disclosed
EP-1311477-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-05-21 EP disclosed
WO-2002016317-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed