SCHEMBL7682167

SCHEMBL7682167

CNC(=O)[C@H](CC(C)C)C[C@@H](O)[CH]Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.41
FFAR2 O15552 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CCR1 P32246 4/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
MMP2 P08253 3/20 0.36
MMP9 P14780 2/20 0.36
MMP3 P08254 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
MMP8 P22894 1/20 0.35
KISS1R Q969F8 2/20 0.35

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
SCHEMBL4065205 0.88 FFAR2 (0.37) MMP1FFAR2LMNAMMP2MMP3
SCHEMBL7688310 0.87 CCR1 (0.46) MMP1CCR1MMP2MMP9MMP3
SCHEMBL4058890 0.77 CCR1 (0.36) MMP1LMNACCR1MMP2MMP9
SCHEMBL4065207 0.76 CCR1 (0.45) MMP1CCR1
SCHEMBL4063347 0.76 CCR1 (0.37) CCR1MMP2MMP3
SCHEMBL4063155 0.76 SMN1; SMN2 (0.40) ALDH1A1LMNACCR1
SCHEMBL4069707 0.74 MMP3 (0.42) MMP1ALDH1A1CCR1MMP2MMP9
SCHEMBL4065786 0.68 MMP3 (0.36) ALDH1A1LMNAMMP3
SCHEMBL4069086 0.67 CTSD (0.42) MMP1ALDH1A1MMP2MMP3
SCHEMBL4063159 0.66 CCR1 (0.56) CCR1

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-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 US disclosed