SCHEMBL7651263

SCHEMBL7651263

OB(O)c1ccc(CCS)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.61
LIPG Q9Y5X9 7/20 0.61
CA2 P00918 4/20 0.57
CA1 P00915 3/20 0.57
TRPV1 Q8NER1 3/20 0.53
MGLL Q99685 2/20 0.53
F11 P03951 1/20 0.52
ENPP2 Q13822 3/20 0.44
TSHR P16473 1/20 0.42
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40

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
SCHEMBL890400 0.85 LPL (0.73) LPLLIPGCA2CA1TRPV1
SCHEMBL2129455 0.80 LPL (0.58) LPLLIPGCA2CA1TRPV1
SCHEMBL332100 0.79 GFER (0.42) CA2
SCHEMBL1421586 0.78 LPL (0.64) LPLLIPGCA2CA1TRPV1
SCHEMBL6869828 0.76 LPL (0.61) LPLLIPGCA2CA1TRPV1
SCHEMBL1315421 0.76 LPL (0.61) LPLLIPGCA2CA1TRPV1
SCHEMBL9145073 0.76 LPL (0.61) LPLLIPGCA2CA1TRPV1
SCHEMBL1811673 0.76 F11 (0.64) LPLLIPGCA2CA1TRPV1
SCHEMBL257735 0.76 LPL (1.00) LPLLIPGCA2CA1TRPV1
SCHEMBL2554733 0.76 LPL (0.61) LPLLIPGCA2CA1TRPV1

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-0530338-B1 ANISOTROPIC ORGANIC COMPOUNDS QINETIQ LTD (GB) 2002-05-02 EP disclosed
US-5888421-A LIQUID CRYSTALS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1999-03-30 US disclosed
WO-1992016519-A2 ANISOTROPIC ORGANIC COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1992-10-01 WO disclosed