SCHEMBL416648

SCHEMBL416648

NC(=O)CCCCCCCCC#CC#CCCCCCCCCC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 6/20 0.55
▸ PTPN7 P35236 4/20 0.50
▸ SELP P16109 1/20 0.44
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ SOAT1 P35610 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RECQL P46063 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL10481605 1.00 HMGCR (0.55) HMGCRPTPN7SELPCYP1A2CYP2C19
SCHEMBL416649 0.91 HMGCR (0.69) HMGCRPTPN7CYP1A2CYP2C19MEN1
SCHEMBL2201502 0.89 HMGCR (0.72) HMGCRPTPN7SELPCYP1A2CYP2C19
SCHEMBL1918073 0.89 HMGCR (0.72) HMGCRPTPN7SELPCYP1A2CYP2C19
SCHEMBL4225757 0.89 HMGCR (0.72) HMGCRPTPN7SELPCYP1A2CYP2C19
SCHEMBL4231623 0.89 HMGCR (0.72) HMGCRPTPN7SELPCYP1A2CYP2C19
SCHEMBL2180780 0.89 HMGCR (0.72) HMGCRPTPN7SELPCYP1A2CYP2C19
SCHEMBL2182049 0.89 HMGCR (0.72) HMGCRPTPN7SELPCYP1A2CYP2C19
SCHEMBL2181335 0.89 HMGCR (0.72) HMGCRPTPN7SELPCYP1A2CYP2C19
SCHEMBL25564452 0.89 HMGCR (0.52) HMGCRPTPN7SELPCYP1A2CYP2C19

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331751-B1 LASER IMAGEABLE PAPER DATALASE LTD (GB) 2017-07-26 — — EP disclosed
US-9017425-B2 Textile colouration DATALASE LTD. (GB) 2015-04-28 — — US disclosed
EP-2332012-B1 ENERGY ACTIVATED COMPOSITIONS DATALASE LTD (GB) 2014-07-09 — — EP disclosed
US-8663902-B2 Laser imaging DATALASE LTD (GB) 2014-03-04 — — US disclosed
US-8637114-B2 Laser imageable paper DATALASE LTD (GB) 2014-01-28 — — US disclosed
US-8557510-B2 Colour forming composition DATALASE LTD. (GB) 2013-10-15 — — US disclosed
EP-2329425-B1 MULTI-COLOURED CODES DATALASE LTD (GB) 2013-07-31 — — EP disclosed
US-8420282-B2 Filters DATALASE LTD (GB) 2013-04-16 — — US disclosed
US-8398760-B2 Energy activated compositions DATALASE LTD. (GB) 2013-03-19 — — US disclosed
EP-2304503-B1 Method for producing a filter DATALASE LTD (GB) 2013-01-09 — — EP disclosed
WO-2010112940-A1 LASER IMAGING DATALASE LTD. (GB) 2010-10-07 — — WO disclosed
WO-2010089595-A1 CO-CRYSTALS AND THEIR USE DATALASE LTD. (GB) 2010-08-12 — — WO disclosed
WO-2010029331-A2 COLOUR FORMING COMPOSITION DATALASE LTD. (GB) 2010-03-18 — — WO disclosed
WO-2010029330-A1 WATER-SOLUBLE CAPSULE DATALASE LTD. (GB) 2010-03-18 — — WO disclosed
WO-2010029328-A2 TEXTILE COLOURATION DATALASE LTD. (GB) 2010-03-18 — — WO disclosed
WO-2010029332-A1 MULTI-COLOURED CODES DATALASE LTD. (GB) 2010-03-18 — — WO disclosed
WO-2010029327-A1 DATA STORAGE MEDIUM DATALASE LTD. (GB) 2010-03-18 — — WO disclosed
WO-2010029329-A1 ENERGY ACTIVATED COMPOSITIONS DATALASE LTD. (GB) 2010-03-18 — — WO disclosed
WO-2010026408-A2 LASER IMAGEABLE PAPER DATALASE LTD. (GB) 2010-03-11 — — WO disclosed
WO-2010001172-A1 FILTERS DATALASE LTD (GB) 2010-01-07 — — WO disclosed
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