SCHEMBL3740249

SCHEMBL3740249

O=C(O)CCOC1=CC=CCC1=S

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.38
MCL1 Q07820 1/20 0.37
TSHR P16473 2/20 0.37
MMP2 P08253 1/20 0.33
PLA2G4B P0C869 2/20 0.31
ALDH1A1 P00352 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL1418639 0.83 L3MBTL1 (0.39) L3MBTL1LMNATSHRALDH1A1
SCHEMBL5113729 0.79 GPR84 (0.30)
SCHEMBL9539306 0.78
SCHEMBL7401426 0.76
SCHEMBL6542191 0.76
SCHEMBL11239022 0.75
SCHEMBL18203168 0.74
SCHEMBL11036915 0.72 POLB (0.41) L3MBTL1LMNAPLA2G4BALDH1A1
SCHEMBL5255463 0.72
SCHEMBL4683951 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280113-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS TRUSTEES OF BOSTON UNIVERSITY (US) 2010-11-04 US claimed
US-20050032646-A1 Agents for the regulation of gametophytic self-incompatibility and a control method for the breakdown of gametophytic self-incompatibility using the agents BICBIO CO. LTD. (KR) 2005-02-10 US disclosed
WO-2004036997-A1 AGENTS FOR THE REGULATION OF GAMETOPHYTIC SELF-INCOMPATIBILITY AND A CONTROL METHOD FOR THE BREAKDOWN OF GAMETOPHYTIC SELF-INCOMPATIBILITY USING THE AGENTS BICBIO CO., LTD (KR) 2004-05-06 WO disclosed
EP-0395251-A1 Herbicidal sulfonamides ICI AUSTRALIA LIMITED (AU) 1990-10-31 EP disclosed