SCHEMBL4068329

SCHEMBL4068329

CC(O)(CC[C@H](C[C@@H](O)[CH]Cc1ccc2ccccc2c1)C(=O)NO)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 4/20 0.43
MMP9 P14780 3/20 0.43
REN P00797 2/20 0.39
HDAC1 Q13547 2/20 0.37
VNN1 O95497 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ADAM17 P78536 3/20 0.36
IDE P14735 2/20 0.36
CCR1 P32246 1/20 0.35
MMP1 P03956 2/20 0.35
MMP13 P45452 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 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
SCHEMBL4067308 0.90 FCER2 (0.38) FCER2MMP9RENHDAC1VNN1
SCHEMBL2675794 0.88 CCR1 (0.40) MMP9HDAC1HDAC8CCR1MMP1
SCHEMBL4066013 0.85 CCR1 (0.34) HDAC1CCR1
SCHEMBL4062768 0.82 FCER2 (0.32) FCER2MMP9CCR1MMP1
SCHEMBL7687929 0.82 CCR1 (0.42) FCER2MMP9RENHDAC1VNN1
SCHEMBL2675109 0.80 CCR1 (0.38) HDAC1VNN1HDAC8CCR1
SCHEMBL4064274 0.79 CCR1 (0.41) HDAC1HDAC8CCR1MMP8
SCHEMBL6832277 0.79 CCR1 (0.41) HDAC1HDAC8CCR1MMP8
SCHEMBL4066881 0.78 CCR1 (0.42) RENVNN1CCR1MMP1MMP13
SCHEMBL2675071 0.77 CCR1 (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
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
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 WO disclosed