SCHEMBL2553032

SCHEMBL2553032

C#CC#CCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCNCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
HMGCR P04035 2/20 0.42
PTPN7 P35236 1/20 0.42
SELP P16109 1/20 0.41
SAT1 P21673 1/20 0.39
RELA Q04206 4/20 0.39
EPHX2 P34913 2/20 0.39
S1PR2 O95136 5/20 0.39
S1PR4 O95977 5/20 0.39
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 5/20 0.39
S1PR5 Q9H228 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX1 P07099 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38

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
SCHEMBL414577 0.88 ALDH1A1 (0.59) ALDH1A1TSHRHMGCRPTPN7SELP
SCHEMBL2554426 0.88 ALDH1A1 (0.59) ALDH1A1TSHRHMGCRPTPN7SELP
SCHEMBL2554870 0.88 ALDH1A1 (0.59) ALDH1A1TSHRHMGCRPTPN7SELP
SCHEMBL2555119 0.88 ALDH1A1 (0.59) ALDH1A1TSHRHMGCRPTPN7SELP
SCHEMBL15136181 0.88 ALDH1A1 (0.59) ALDH1A1TSHRHMGCRPTPN7SELP
SCHEMBL2555608 0.88 ALDH1A1 (0.59) ALDH1A1TSHRHMGCRPTPN7SELP
SCHEMBL9627770 0.88 HMGCR (0.50) ALDH1A1TSHRHMGCRPTPN7SELP
SCHEMBL22115926 0.88 HMGCR (0.50) ALDH1A1TSHRHMGCRPTPN7SELP
SCHEMBL9627027 0.88 HMGCR (0.50) ALDH1A1TSHRHMGCRPTPN7SELP
SCHEMBL29664943 0.88 HMGCR (0.50) ALDH1A1TSHRHMGCRPTPN7SELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246562-B2 Plastics colouration DATALASE LTD. (GB) 2019-04-02 US claimed
EP-2553528-B1 PLASTICS COLOURATION DATALASE LTD (GB) 2015-04-22 EP claimed
EP-2553528-A1 PLASTICS COLOURATION Datalase Limited (GB) 2013-02-06 EP claimed
WO-2011121265-A1 PLASTICS COLOURATION DATALASE LTD. (GB) 2011-10-06 WO claimed