SCHEMBL8344872

SCHEMBL8344872

O=C(NCCCC[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)NCCc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.48
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CPB1 P15086 1/20 0.42
CPB2 Q96IY4 1/20 0.42
MAPT P10636 1/20 0.42
PTGER4 P35408 2/20 0.42

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
Hydrochloric Acid SCHEMBL7761841 0.84 F2 (0.45) MMP9CA1CA2CPB2
SCHEMBL8344933 0.81 HDAC1 (0.51) FOLH1MMP2MMP9KLK7KLK5
SCHEMBL8345432 0.78 HDAC1 (0.51) FOLH1PTGER4
SCHEMBL17397643 0.78 MAPT (0.62) FOLH1KLK7KLK5MAPT
SCHEMBL8349145 0.77 HDAC1 (0.49) FOLH1PTGER4
SCHEMBL7203421 0.75 CTSL (0.50) MMP9PTGER4
SCHEMBL8205976 0.75 CTSL (0.50) MMP9PTGER4
SCHEMBL7764101 0.75 DPP8 (0.62) FOLH1MMP2MMP9
SCHEMBL16762202 0.75 FOLH1 (0.52) FOLH1MMP2MMP9CA1CA2
Hydrochloric Acid SCHEMBL7762718 0.74 DPP8 (0.61) FOLH1MMP2MMP9

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-5883121-A INHIBITING ACTIVITY AGAINST CATHEPSIN, AND IS USEFUL FOR PREVENTION AND TREATMENT OF OSTEOPATHY SUCH AS OSTEOPOROSIS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed