SCHEMBL7394135

SCHEMBL7394135

O=C(NCCCC[C@H](NCC1CC1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.56
ABCB1 P08183 1/20 0.54
MMP2 P08253 3/20 0.53
MMP9 P14780 3/20 0.53
HTT P42858 1/20 0.52
DPP8 Q6V1X1 2/20 0.52
DPP7 Q9UHL4 2/20 0.52
TGM2 P21980 1/20 0.50
ACE P12821 2/20 0.49
DPP4 P27487 1/20 0.49
DPP9 Q86TI2 1/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP13 P45452 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL30689097 0.82 FOLH1 (0.64) FOLH1MMP2MMP9HTTDPP8
SCHEMBL7938432 0.82 ABCB1 (0.61) FOLH1ABCB1HTT
SCHEMBL7390273 0.82 FOLH1 (0.58) FOLH1MMP2MMP9HTTDPP8
SCHEMBL5858019 0.81 HTT (0.62) FOLH1HTTDPP8DPP7TGM2
SCHEMBL464671 0.80 FOLH1 (0.64) FOLH1MMP2MMP9HTTDPP8
SCHEMBL7323375 0.78 FOLH1 (0.66) FOLH1MMP2MMP9ACEMMP1
SCHEMBL17244715 0.78 SIRT5 (0.62) FOLH1HTT
SCHEMBL18789039 0.78 FOLH1 (0.62) FOLH1MMP2MMP9HTTDPP8
SCHEMBL8393267 0.78 HTT (0.65) FOLH1HTTDPP8DPP7TGM2
SCHEMBL10772400 0.78 FOLH1 (0.68) FOLH1MMP2MMP9ACEMMP1

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
EP-1263716-A2 AMINO ACID DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Pharmacor Inc. (CA) 2002-12-11 EP disclosed
WO-2001068593-A2 AMINO ACID DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PHARMACOR INC. (CA) 2001-09-20 WO disclosed