SCHEMBL8885697

SCHEMBL8885697

CCCCCCCCCCCCCCCC(=O)[N+](C)(C)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.56
PPARG P37231 7/20 0.56
PPARD Q03181 7/20 0.56
PPARA Q07869 7/20 0.56
HDAC11 Q96DB2 5/20 0.56
TSHR P16473 4/20 0.56
PTPN1 P18031 3/20 0.56
ALDH1A1 P00352 2/20 0.56
TLR2 O60603 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
FABP4 P15090 2/20 0.56
KMT2A Q03164 2/20 0.56
ALOX15 P16050 2/20 0.56
HSD17B10 Q99714 2/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
SLC22A8 Q8TCC7 1/20 0.56
MEN1 O00255 1/20 0.56
ESR1 P03372 1/20 0.56
PDE4A P27815 1/20 0.56
PDE3A Q14432 1/20 0.56

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
SCHEMBL8885078 1.00 GPR84 (0.56) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL8883454 1.00 GPR84 (0.56) GPR84PPARGPPARDPPARAHDAC11
Water SCHEMBL5454608 0.98 GPR84 (0.54) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL28335883 0.90 PPARG (0.64) PPARGPPARDPPARATSHRPTPN1
Water SCHEMBL11337161 0.88 PPARG (0.62) PPARGPPARDPPARATSHRPTPN1
Water SCHEMBL28668290 0.88 PPARG (0.62) PPARGPPARDPPARATSHRPTPN1
SCHEMBL16061965 0.84 KMT2A (0.50) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL1720049 0.84 KMT2A (0.50) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL27628103 0.83 CES2 (0.50) GPR84PPARGPPARDPPARAHDAC11
Propane SCHEMBL743689 0.82 KMT2A (0.48) GPR84PPARGPPARDPPARAHDAC11

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-5658749-A DECREASING THE BUOYANCY OF MICROORGANISMS CONTAINING MYCOLIC ACID-LIKE STRUCTURES IN THE OUTER MEMBRANE USING A SOLUTION OF AN SB-18-LIKE OR ROD-LIKE DETERGENT; AMPHOTERIC SURFACTANTS; MEDICAL DIAGNOSIS; CULTURES; AMPLIFICATION CORNING CLINICAL LABORATORIES, INC. (US) 1997-08-19 US disclosed