SCHEMBL22290689

SCHEMBL22290689

O=C(O)C(Cc1c(F)c(F)c(F)c(F)c1F)NF

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
MMP2 P08253 3/20 0.33
MMP3 P08254 2/20 0.33
MMP1 P03956 2/20 0.33
FOLH1 Q04609 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10065865 0.82 CTSS (0.41) CTSSMMP2MMP3MMP1FOLH1
SCHEMBL542549 0.82 CTSS (0.38) CTSSMMP2MMP3MMP1FOLH1
SCHEMBL542550 0.82 CTSS (0.38) CTSSMMP2MMP3MMP1FOLH1
SCHEMBL10925736 0.75 FOLH1 (0.37) CTSSFOLH1
SCHEMBL22290948 0.73 ACE (0.38) MMP2MMP9ALDH1A1
SCHEMBL8872510 0.73 FOLH1 (0.43) FOLH1
SCHEMBL18623600 0.71 CTSS (0.70) CTSS
SCHEMBL22290826 0.71 ALDH1A1 (0.57) FOLH1CA2ALDH1A1
SCHEMBL29964738 0.71 ALDH1A1 (0.57) FOLH1CA2ALDH1A1
SCHEMBL15955608 0.70 CTSS (0.39) CTSS

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-3917944-A1 THERAPEUTIC PEPTIDES Cohbar Inc. (US) 2021-12-08 EP disclosed
WO-2020160003-A1 THERAPEUTIC PEPTIDES COHBAR, INC. (US) 2020-08-06 WO disclosed