SCHEMBL17706674

SCHEMBL17706674

CNC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)Nc1ccc(COC(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.55
▸ SIRT2 Q8IXJ6 7/20 0.50
▸ SIRT1 Q96EB6 6/20 0.50
▸ CALCRL Q16602 1/20 0.49
▸ ECE1 P42892 1/20 0.49
▸ LTA4H P09960 1/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ KDM1A O60341 4/20 0.46
▸ MAOA P21397 2/20 0.46
▸ RCOR1 Q9UKL0 2/20 0.46
▸ KDM1B Q8NB78 1/20 0.46
▸ SIRT3 Q9NTG7 3/20 0.46
▸ SIRT5 Q9NXA8 2/20 0.46

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
SCHEMBL18494988 1.00 SSTR3 (0.55) SSTR3SIRT2SIRT1CALCRLECE1
SCHEMBL14821040 1.00 SSTR3 (0.55) SSTR3SIRT2SIRT1CALCRLECE1
SCHEMBL14872058 0.93 SSTR3 (0.55) SSTR3SIRT2SIRT1CALCRLECE1
SCHEMBL19403504 0.91 SSTR3 (0.54) SSTR3SIRT2SIRT1CALCRLECE1
SCHEMBL12245289 0.88 SSTR3 (0.53) SSTR3SIRT2SIRT1CALCRLECE1
SCHEMBL16479322 0.87 SSTR3 (0.53) SSTR3SIRT2SIRT1CALCRLLTA4H
SCHEMBL22096459 0.87 SSTR3 (0.51) SSTR3SIRT2SIRT1CALCRLLTA4H
SCHEMBL24101424 0.86 SSTR3 (0.54) SSTR3CALCRLLTA4HMMP3KDM1A
SCHEMBL13684815 0.86 SSTR3 (0.56) SSTR3CALCRLLTA4HMMP3
SCHEMBL20420459 0.86 CALCRL (0.56) SSTR3CALCRLLTA4HMMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9320803-B2 Bisphosphonate-prodrugs KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2016-04-26 — — US disclosed
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