SCHEMBL14977944

SCHEMBL14977944

CCCCCCCCCC(CCCCCCCCNC)C(CCCCCCCCC)CCCCCCCCNC(=O)NCCNC(=O)NCCCCCCCCC(CCCCCCCCC)C(CCCCCCCCC)CCCCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 11/20 0.54
SIRT1 Q96EB6 8/20 0.54
SIRT3 Q9NTG7 5/20 0.53
FOLH1 Q04609 1/20 0.52
TGM2 P21980 1/20 0.51
DPP8 Q6V1X1 1/20 0.50
DPP7 Q9UHL4 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL9975582 0.96 SIRT2 (0.58) SIRT2SIRT1SIRT3FOLH1TGM2
SCHEMBL9975581 0.96 SIRT2 (0.58) SIRT2SIRT1SIRT3FOLH1TGM2
SCHEMBL14977943 0.92 MEN1 (0.54) SIRT2SIRT1SIRT3FOLH1TGM2
SCHEMBL9975587 0.91 SIRT2 (0.62) SIRT2SIRT1SIRT3FOLH1TGM2
SCHEMBL9975576 0.89 SIRT2 (0.56) SIRT2SIRT1SIRT3FOLH1TGM2
SCHEMBL9975659 0.84 CTSL (0.56) SIRT2SIRT1SIRT3FOLH1TGM2
SCHEMBL7907549 0.84 HTT (0.68) FOLH1TGM2DPP8DPP7HTT
SCHEMBL14463120 0.84 HTT (0.68) FOLH1TGM2DPP8DPP7HTT
SCHEMBL19527223 0.84 HTT (0.68) FOLH1TGM2DPP8DPP7HTT
SCHEMBL10599151 0.84 HTT (0.68) SIRT2SIRT1SIRT3TGM2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450385-B2 Urea-urethane gellant compositions with controlled molecular weight and methods of preparation XEROX CORPORATION (US) 2013-05-28 US disclosed
US-8450385-B2 Urea-urethane gellant compositions with controlled molecular weight and methods of preparation XEROX CORPORATION (US) 2013-05-28 US disclosed