SCHEMBL5672004

SCHEMBL5672004

CCCCCC(CCCC)(CCCCC)NC(CCCC)(CCCCC)CCCCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.36
FDPS P14324 11/20 0.36
GGPS1 O95749 7/20 0.36
EPHX1 P07099 1/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
SMPD1 P17405 1/20 0.33

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
SCHEMBL7756195 0.94 TSHR (0.47) TSHRTHRBFDPSGGPS1EPHX1
SCHEMBL28236436 0.94 TSHR (0.47) TSHRTHRBFDPSGGPS1EPHX1
SCHEMBL18760167 0.94 TSHR (0.47) TSHRTHRBFDPSGGPS1EPHX1
Sulfuric Acid SCHEMBL9806552 0.81 CA1 (0.44) FDPSGGPS1EPHX1ADH1BADH1C
Phosphoric Acid SCHEMBL5955943 0.76 FDPS (0.47) FDPSGGPS1LPAR1LPAR3SMPD1
SCHEMBL5382076 0.74 TSHR (0.44) TSHRTHRBFDPSGGPS1EPHX1
SCHEMBL2227498 0.74 TSHR (0.44) TSHRTHRBFDPSGGPS1EPHX1
SCHEMBL1678667 0.74
SCHEMBL11095050 0.72 EPHX1 (0.36) TSHRTHRBALDH1A1FDPSGGPS1
SCHEMBL7050513 0.72 TSHR (0.42) TSHRTHRBALDH1A1FDPSGGPS1

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-1322692-B1 POLYMER AND USES THEREOF CAMBRIDGE DISPLAY TECH LTD (GB) 2006-12-13 EP disclosed
US-6998181-B2 Polymer and uses thereof CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2006-02-14 US disclosed
US-20040024161-A1 Polymer and uses thereof CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2004-02-05 US disclosed