SCHEMBL4061133

SCHEMBL4061133

CC(C)(C)CCC1CC(C(Cc2ccccc2)NC(=O)O)OC1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.33
BCHE P06276 1/20 0.33
NAAA Q02083 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL6836252 0.89 ATM (0.43) KMT2A
SCHEMBL6838153 0.84 POLB (0.36) CAPN1NPC1RAB9AKMT2ABACE1
SCHEMBL6838155 0.84 POLB (0.36) CAPN1NPC1RAB9AKMT2ABACE1
SCHEMBL7397628 0.79 ATM (0.44) KMT2A
SCHEMBL8270815 0.79 ATM (0.43) KMT2A
SCHEMBL3806061 0.78 FPR2 (0.37) NPC1RAB9AL3MBTL1KMT2A
SCHEMBL7584316 0.78 ATM (0.43) KMT2A
SCHEMBL7419151 0.78 ATM (0.41)
SCHEMBL8270814 0.77 KLK7 (0.45) KMT2A
SCHEMBL7432732 0.77 ATM (0.46) KMT2A

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-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