SCHEMBL4070496

SCHEMBL4070496

Cc1cc(CC(CC(O)[CH]Cc2ccccc2)C(N)=O)cc(C(N)=O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.39
CXCL12 P48061 1/20 0.39
PLA2G10 O15496 4/20 0.35
PLA2G2A P14555 4/20 0.35
CCR1 P32246 1/20 0.34
ACE P12821 1/20 0.32
PLA2G1B P04054 1/20 0.32
PLA2G5 P39877 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
PLA2G12B Q9BX93 1/20 0.32
PLA2G12A Q9BZM1 1/20 0.32
PLA2G2F Q9BZM2 1/20 0.32
PLA2G3 Q9NZ20 1/20 0.32
PLA2G2E Q9NZK7 1/20 0.32
PLA2G2D Q9UNK4 1/20 0.32
TRPA1 O75762 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SLC1A3 P43003 1/20 0.32

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
SCHEMBL4063820 0.81 KDM4E (0.37) PLA2G10PLA2G2AACEPLA2G1BPLA2G5
SCHEMBL4061937 0.79 HMGB1 (0.34) HMGB1PLA2G10PLA2G2ACCR1PLA2G1B
SCHEMBL7685992 0.78 GRIA2 (0.41) SLC1A3SLC1A2SLC1A1
SCHEMBL4062969 0.78 ADRA1D (0.36) PLA2G10PLA2G2ACCR1TRPA1L3MBTL1
SCHEMBL4066977 0.78 CYP3A4 (0.36) PLA2G10PLA2G2APLA2G1BPLA2G5PLA2G2C
SCHEMBL7679450 0.78 TRPV1 (0.48) CCR1ACEPOLBSLC1A3SLC1A2
SCHEMBL4061971 0.78 FOLH1 (0.50) PLA2G10PLA2G2AOPRM1OPRD1
SCHEMBL7681396 0.75 AKR1B1 (0.37) CCR1TRPA1L3MBTL1ALDH1A1POLB
SCHEMBL4070172 0.74 KMT2A (0.33) PLA2G10PLA2G2ACCR1PLA2G1BPLA2G5
SCHEMBL4064377 0.74 ADRA1D (0.35) PLA2G10PLA2G2APLA2G1BPLA2G5PLA2G2C

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