SCHEMBL7734862

SCHEMBL7734862

O=C(O)CCc1cc(Cl)cc2nc(Cc3c(F)cccc3Cl)oc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.41
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RXRA P19793 9/20 0.38
RXRB P28702 9/20 0.38
RXRG P48443 7/20 0.38
AKR1B1 P15121 1/20 0.38
NR4A2 P43354 3/20 0.37

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
SCHEMBL7733878 0.86 RAB9A (0.43) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL7735189 0.85 GAA (0.36) ALDH1A1KDM4E
SCHEMBL7734869 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EAKR1B1
SCHEMBL7734855 0.77 SIRT2 (0.34) SLC22A12AKR1B1
SCHEMBL7724872 0.75 GAA (0.36) ALDH1A1KDM4E
SCHEMBL7734340 0.74 ATM (0.41) ALDH1A1KDM4ERXRARXRBRXRG
SCHEMBL7733868 0.74 RXRA (0.46) FFAR1RXRARXRBRXRGNR4A2
SCHEMBL11139559 0.70 KDM4E (0.59) FFAR1FFAR4KDM4EAKR1B1
SCHEMBL7734337 0.68 NLRP3 (0.36) AKR1B1
SCHEMBL7733875 0.67 LMNA (0.41) AKR1B1

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-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed