SCHEMBL1431987

SCHEMBL1431987

O=C(S)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
CYP1A2 P05177 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL9056652 0.79 CYP2C9 (0.54) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL7066 0.79 CYP2C9 (0.74) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL9568239 0.77 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL9181980 0.77 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL1681667 0.77 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL5705762 0.77 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL1680669 0.77 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
SCHEMBL3889406 0.77 KCNN4 (0.52) CYP2C9CYP1A2CA12CA1CA2
Benzylic Acid SCHEMBL20957595 0.77 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL11049826 0.77 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300244-B1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID PIRELLI (IT) 2011-12-14 EP claimed
EP-2300244-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID Pirelli Tyre S.P.A. (IT) 2011-03-30 EP claimed
WO-2010000294-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID PIRELLI TYRE S.P.A. (IT) 2010-01-07 WO claimed
EP-2300244-B1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID PIRELLI (IT) 2011-12-14 EP disclosed
US-20110177255-A1 METHOD FOR PRODUCING AN ALDEHYDE CONTAINING COATING UNIVERSITY OF DURHAM (GB) 2011-07-21 US disclosed
EP-2300244-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID Pirelli Tyre S.P.A. (IT) 2011-03-30 EP disclosed
WO-2010000294-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID PIRELLI TYRE S.P.A. (IT) 2010-01-07 WO disclosed
EP-1866103-B1 A METHOD FOR PRODUCING AN ALDEHYDE CONTAINING COATING SURFACE INNOVATIONS LTD (GB) 2009-07-22 EP disclosed
EP-1866103-A1 A METHOD FOR PRODUCING AN ALDEHYDE CONTAINING COATING UNIVERSITY OF DURHAM (GB) 2007-12-19 EP disclosed
WO-2006100480-A1 A METHOD FOR PRODUCING AN ALDEHYDE CONTAINING COATING UNIVERSITY OF DURHAM (GB) 2006-09-28 WO disclosed
US-6344523-B1 POLYIMIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION OF CAMPBELL (AU) 2002-02-05 US disclosed