SCHEMBL14977943

SCHEMBL14977943

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
SIRT2 Q8IXJ6 10/20 0.54
SIRT1 Q96EB6 7/20 0.54
SIRT3 Q9NTG7 4/20 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) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9975581 0.96 SIRT2 (0.58) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL14977944 0.92 SIRT2 (0.54) SIRT2SIRT1SIRT3FOLH1TGM2
SCHEMBL9975587 0.91 SIRT2 (0.62) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL9975576 0.89 SIRT2 (0.56) SIRT2SIRT1SIRT3FOLH1TGM2
SCHEMBL9975659 0.84 CTSL (0.56) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL19527224 0.84 HTT (0.68) ALDH1A1FOLH1TGM2DPP8DPP7
SCHEMBL3364812 0.84 HTT (0.68) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL16692630 0.84 HTT (0.68) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL28969063 0.84 HTT (0.68) MEN1ALDH1A1HPGDKMT2ASIRT2

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