SCHEMBL9696080

SCHEMBL9696080

C[C@@H](NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.54
CTSK P43235 4/20 0.53
FOLH1 Q04609 2/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
CAPN2 P17655 1/20 0.52
MME P08473 1/20 0.52
ECE1 P42892 1/20 0.52
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
CTSS P25774 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
SCHEMBL10652580 0.92 PPARA (0.51) CAPN1CTSKFOLH1SIRT2SIRT1
SCHEMBL19925534 0.87 FOLH1 (0.64) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL19307785 0.87 FOLH1 (0.64) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL9697060 0.87 FOLH1 (0.64) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL9698236 0.87 FOLH1 (0.64) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL24238520 0.87 FOLH1 (0.64) FOLH1SIRT2SIRT1MMEECE1
SCHEMBL10762779 0.87 CTSK (0.50) CAPN1CTSKFOLH1SIRT2SIRT1
SCHEMBL10541895 0.87 CTSK (0.50) CAPN1CTSKFOLH1SIRT2SIRT1
SCHEMBL9696050 0.86 ALDH1A1 (0.58) CTSKMMEECE1ALDH1A1ALOX15
SCHEMBL27626645 0.84 FOLH1 (0.57) CTSKFOLH1SIRT2SIRT1MME

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
EP-0509643-A1 Anti-cancer compounds BTG INTERNATIONAL LIMITED (GB) 1992-10-21 EP disclosed