SCHEMBL1918468

SCHEMBL1918468

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 7/20 0.65
▸ PTPN7 P35236 4/20 0.59
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ LMNA P02545 3/20 0.46
▸ EPHX2 P34913 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ RECQL P46063 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL416649 0.92 HMGCR (0.69) HMGCRPTPN7CYP1A2CYP2D6MAPT
SCHEMBL11577850 0.88 HMGCR (0.80) HMGCRPTPN7CYP1A2CYP2D6MAPT
SCHEMBL411385 0.88 HMGCR (0.80) HMGCRPTPN7CYP1A2CYP2D6MAPT
SCHEMBL11581528 0.88 HMGCR (0.80) HMGCRPTPN7CYP1A2CYP2D6MAPT
SCHEMBL414271 0.88 HMGCR (0.80) HMGCRPTPN7CYP1A2CYP2D6MAPT
SCHEMBL8763744 0.88 HMGCR (0.80) HMGCRPTPN7CYP1A2CYP2D6MAPT
SCHEMBL2553133 0.88 HMGCR (0.80) HMGCRPTPN7CYP1A2CYP2D6MAPT
SCHEMBL416646 0.88 HMGCR (0.80) HMGCRPTPN7CYP1A2CYP2D6MAPT
SCHEMBL11139452 0.88 HMGCR (0.80) HMGCRPTPN7CYP1A2CYP2D6MAPT
SCHEMBL410681 0.88 HMGCR (0.80) HMGCRPTPN7CYP1A2CYP2D6MAPT

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-9017425-B2 Textile colouration DATALASE LTD. (GB) 2015-04-28 — — US disclosed
US-20110167572-A1 Textile Colouration DATALASE LTD. (GB) 2011-07-14 — — US disclosed
EP-2326753-A2 TEXTILE COLOURATION WITH DIACETYLENE COMPOUNDS DataLase Ltd (GB) 2011-06-01 — — EP disclosed
WO-2010029328-A2 TEXTILE COLOURATION DATALASE LTD. (GB) 2010-03-18 — — WO disclosed
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