SCHEMBL6818300

SCHEMBL6818300

OCC(Cc1ccc(OCCc2ccc(Sc3ccccc3)cc2)cc1)Sc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.48
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SLC6A4 P31645 1/20 0.41
LTA4H P09960 1/20 0.41
SLC2A1 P11166 1/20 0.40
PPARG P37231 4/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ADRB3 P13945 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARA Q07869 1/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 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
SCHEMBL6813719 0.83 CA12 (0.47) FFAR1SLC2A1PPARGCA12CA1
SCHEMBL7243191 0.82 PPARG (0.52) FFAR1PPARGALOX5PPARA
SCHEMBL6821028 0.78 PPARG (0.47) FFAR1PPARGALOX5PPARA
SCHEMBL5991810 0.77 PPARG (0.55) FFAR1PPARGALOX5PPARA
SCHEMBL5991298 0.75 PPARA (0.67) PPARGPPARA
SCHEMBL5991287 0.75 PPARA (0.67) PPARGPPARA
SCHEMBL4029473 0.75 PPARG (0.65) PPARGPPARA
SCHEMBL5992000 0.74 PPARG (0.50) FFAR1RAB9ALTA4HPPARGALOX5
SCHEMBL5992824 0.73 PPARA (0.56) FFAR1PPARGPPARA
SCHEMBL5992817 0.73 PPARA (0.56) FFAR1PPARGPPARA

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
EP-1237857-B1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2004-06-30 EP disclosed