SCHEMBL8895124

SCHEMBL8895124

C[CH]C(=O)OC(CCC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
GPR88 Q9GZN0 2/20 0.38
AOC3 Q16853 1/20 0.38
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
POLB P06746 2/20 0.37
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
MDM4 O15151 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MDM2 Q00987 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
SCHEMBL8895848 0.87 HCAR2 (0.42) HCAR2POLBPABPC1APOBEC3AAPOBEC3G
SCHEMBL3171202 0.86 THRB (0.40) HCAR2GPR88AOC3PPARGPPARA
SCHEMBL8897426 0.84 CYP1A2 (0.39) HCAR2GPR88AOC3PPARGPPARA
SCHEMBL9420058 0.84 HCAR2 (0.60) HCAR2MDM4LMNAMAPTMDM2
SCHEMBL9419971 0.84 HCAR2 (0.60) HCAR2MDM4LMNAMAPTMDM2
SCHEMBL9419967 0.84 HCAR2 (0.60) HCAR2MDM4LMNAMAPTMDM2
SCHEMBL11212738 0.83 AOC3 (0.44) AOC3PPARGPPARAPOLB
SCHEMBL982155 0.83 MTNR1A (0.43) GPR88AOC3PPARGPPARAPOLB
SCHEMBL1841218 0.83 AOC3 (0.42) GPR88AOC3PPARGPPARAPOLB
SCHEMBL29377527 0.81 PABPC1 (0.52) AOC3PPARGPPARAPOLBPABPC1

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed