SCHEMBL4070562

SCHEMBL4070562

NC(=O)c1ccc(O)c(CC(CC(O)[CH]Cc2ccccc2)C(N)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
SLC7A5 Q01650 1/20 0.36
HPGDS O60760 2/20 0.35
HTT P42858 1/20 0.34
FOLH1 Q04609 2/20 0.34
ADRB3 P13945 1/20 0.34
F10 P00742 2/20 0.33
PLG P00747 1/20 0.33
PROC P04070 1/20 0.33
SYK P43405 1/20 0.33
PARP10 Q53GL7 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
SCHEMBL7681396 0.86 AKR1B1 (0.37) SLC7A5
SCHEMBL4061971 0.84 FOLH1 (0.50) PLA2G10PLA2G2AFOLH1F10
SCHEMBL4063724 0.81 BID (0.36) PLA2G10PLA2G2AHPGDSFOLH1
SCHEMBL4062969 0.80 ADRA1D (0.36) PLA2G10PLA2G2AFOLH1
SCHEMBL4063820 0.80 KDM4E (0.37) PLA2G10PLA2G2AHPGDSHTT
SCHEMBL4061937 0.79 HMGB1 (0.34) PLA2G10PLA2G2A
SCHEMBL7685992 0.78 GRIA2 (0.41) HPGDSFOLH1
SCHEMBL4066977 0.78 CYP3A4 (0.36) PLA2G10PLA2G2A
SCHEMBL7679450 0.77 TRPV1 (0.48) SLC7A5
SCHEMBL4070172 0.76 KMT2A (0.33) PLA2G10PLA2G2A

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