SCHEMBL4338726

SCHEMBL4338726

O=P1(Oc2ccc(N=C=S)cc2)OCCCO1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MIF P14174 1/20 0.36
HSD17B10 Q99714 1/20 0.33
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL20787653 0.78 STS (0.30)
SCHEMBL3453447 0.74 RECQL (0.42) HSD17B10
Bitoscanate SCHEMBL157128 0.66 MIF (0.72) P2RY6CA1CA2MIFHSD17B10
SCHEMBL941550 0.65 MIF (0.56) P2RY6CA1CA2MIFHSD17B10
SCHEMBL40681 0.62 MIF (0.53) P2RY6CA1CA2MIFKEAP1
SCHEMBL28228359 0.61 MIF (0.56) P2RY6CA1CA2MIFHSD17B10
SCHEMBL331404 0.61 MIF (0.56) P2RY6CA1CA2MIFHSD17B10
SCHEMBL9857533 0.60 P2RY6 (0.50) P2RY6CA1CA2MIFHSD17B10
Phenylisothiocyanate SCHEMBL11488670 0.60 MIF (0.68) P2RY6CA1CA2MIFHSD17B10
SCHEMBL1548531 0.60 MIF (0.62) P2RY6CA1CA2MIFHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7611834-B2 Methods and devices for protein assays SANDIA CORPORATION (US) 2009-11-03 US disclosed
US-20070231925-A1 Methods and devices for protein assays NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC 2007-10-04 US disclosed
US-20050133371-A1 Apparatus and method for Edman degradation on a microfluidic device utilizing an electroosmotic flow pump WEST VIRGINIA UNIVERSITY RESEARCH CORPORATION 2005-06-23 US disclosed
WO-2005043112-A2 APPARATUS AND METHOD FOR EDMAN DEGRADATION ON A MICROFLUIDIC DEVICE UTILIZING AN ELECTROOSMOTIC FLOW PUMP WEST VIRGINIA UNIVERSITY RESEARCH CORPORATION (US) 2005-05-12 WO disclosed
US-20040175822-A1 Apparatus and method for edman degradation using a microfluidic system WEST VIRGINIA UNIVERSITY RESEARCH CORPORATION 2004-09-09 US disclosed
WO-2004059283-A2 APPARATUS AND METHOD FOR EDMAN DEGRADATION USING A MICROFLUIDIC SYSTEM WEST VIRGINIA UNIVERSITY RESEARCH CORPORATION (US) 2004-07-15 WO disclosed