SCHEMBL7685992

SCHEMBL7685992

NC(=O)C(Cc1cccc(O)c1)CC(O)[CH]Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
HPGDS O60760 5/20 0.40
FOLH1 Q04609 1/20 0.40
IDO1 P14902 1/20 0.39
HIF1A Q16665 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
KYNU Q16719 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRND Q07001 1/20 0.36
ENPP2 Q13822 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL7679450 0.87 TRPV1 (0.48) ANPEPERAP2ERAP1SLC1A3SLC1A2
SCHEMBL4061971 0.86 FOLH1 (0.50) ANPEPFOLH1
SCHEMBL7591136 0.83 KMT2A (0.42) FOLH1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4063820 0.82 KDM4E (0.37) HPGDSHIF1ACYP1A2
SCHEMBL7681396 0.81 AKR1B1 (0.37) ERAP2ERAP1SLC1A3SLC1A2SLC1A1
SCHEMBL4061937 0.79 HMGB1 (0.34) SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4063724 0.79 BID (0.36) ERAP2ERAP1HPGDSFOLH1SLC1A3
SCHEMBL4063727 0.79 ANPEP (0.49) GRIA2ANPEPERAP2ERAP1HPGDS
SCHEMBL4070496 0.78 HMGB1 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL4071551 0.78 PPARG (0.39) SLC1A3SLC1A2SLC1A1CYP1A2

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