SCHEMBL6916213

SCHEMBL6916213

COC[S+]([O-])c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.33
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA2 P00918 1/20 0.31
LTA4H P09960 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
SCHEMBL11283009 0.78
SCHEMBL19454484 0.78 TSHR (0.37) CA4MAPK1TSHRTDP1CA2
SCHEMBL6915479 0.76 KCNA3 (0.44) TDP1LTA4H
Fluoride Ion SCHEMBL1335699 0.74 CA2 (0.36) CA4TSHRTDP1CA2LTA4H
SCHEMBL30667570 0.74 CA4 (0.35) CA4TSHRCA2LTA4H
SCHEMBL775291 0.73 TP53 (0.38) TSHRCYP3A4TDP1
SCHEMBL3388541 0.73 TP53 (0.38) TSHRCYP3A4TDP1
SCHEMBL16363528 0.73 TP53 (0.38) TSHRCYP3A4TDP1
SCHEMBL1314975 0.72 CYP3A4 (0.38) CYP3A4TDP1
SCHEMBL20921242 0.72 CYP3A4 (0.38) CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394039-A1 A method for preparing 4-Alkoxyalkyl-4-aminophenylpiperidines and derivatives thereof BOC, INC. (US) 1990-10-24 EP claimed
US-6727294-B2 RADIATION TRANSPARENT MOLDING MATERIALS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-04-27 US disclosed
WO-2002016570-A1 DMS:ACCEPTOR OXIDOREDUCTASE THE UNIVERSITY OF QUEENSLAND (AU) 2002-02-28 WO disclosed
US-20010034419-A1 Radiation transparent molding materials MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2001-10-25 US disclosed
EP-0795023-A1 A PROCESS FOR PRODUCING SULPHOXIDE ENRICHED IN THE (R) OR THE (S) ENANTIOMER ZENECA LIMITED (GB) 1997-09-17 EP disclosed
WO-1996017075-A1 A PROCESS FOR PRODUCING SULPHOXIDE ENRICHED IN THE (R) OR THE (S) ENANTIOMER ZENECA LIMITED (GB) 1996-06-06 WO disclosed
US-5145967-A Method for preparing 4-alkoxyalkyl-4-phenylaminopiperdines and derivatives thereof ANAQUEST, INC. (US) 1992-09-08 US disclosed
EP-0394039-A1 A method for preparing 4-Alkoxyalkyl-4-aminophenylpiperidines and derivatives thereof BOC, INC. (US) 1990-10-24 EP disclosed