SCHEMBL27964016

SCHEMBL27964016

O=C(C(Br)Cc1ccc(Oc2ccccc2)cc1)C(Br)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.57
PPARG P37231 7/20 0.55
PPARA Q07869 7/20 0.55
LTA4H P09960 1/20 0.52
SRD5A2 P31213 3/20 0.51
PPARD Q03181 2/20 0.50
FFAR4 Q5NUL3 1/20 0.49
ACACB O00763 1/20 0.48
NPY5R Q15761 2/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL15447037 0.84 PPARG (0.52) FFAR1PPARGPPARALTA4HSRD5A2
SCHEMBL17763412 0.83 CYP1A2 (0.56)
SCHEMBL14210014 0.80 PPARG (0.65) FFAR1PPARGPPARALTA4HSRD5A2
SCHEMBL7278634 0.78 SLC7A5 (0.50) FFAR1PPARGPPARALTA4HPPARD
SCHEMBL9081822 0.77 CYP1A2 (0.71) FFAR1PPARGPPARALTA4HSRD5A2
SCHEMBL12379284 0.76 SLC7A5 (0.70) FFAR1PPARGPPARALTA4HSRD5A2
SCHEMBL1768559 0.76 SLC7A5 (0.70) FFAR1PPARGPPARALTA4HSRD5A2
SCHEMBL11432241 0.76 FFAR1 (0.65) FFAR1PPARGPPARALTA4HSRD5A2
SCHEMBL515521 0.76 SLC7A5 (0.70) FFAR1PPARGPPARALTA4HSRD5A2
SCHEMBL29584001 0.76 SLC7A5 (0.70) FFAR1PPARGPPARALTA4HSRD5A2

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
CN-102083821-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-09-17 CN disclosed
CN-103936819-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-07-23 CN disclosed