SCHEMBL2049103

SCHEMBL2049103

CCCCCCC1(C(=O)O)CC1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE4A P27815 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE3A Q14432 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10937554 1.00 GPR84 (0.39) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL4259041 1.00 GPR84 (0.39) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2053235 0.98 AKR1B1 (0.37) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL14714718 0.90 TERT (0.49) PPARGPPARDPPARAPTPN1TDP1
SCHEMBL278015 0.83 TSHR (0.44) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL250704 0.83 TSHR (0.44) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL251265 0.83 TSHR (0.44) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2946123 0.82 EPHX2 (0.35)
SCHEMBL9518086 0.81 CES2 (0.38) FABP3
SCHEMBL250482 0.81 LMNA (0.42) 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
EP-2336341-A1 Method for producing an alkene comprising the step of converting an alcohol by an enzymatic dehydration step Marliere, Philippe (FR) 2011-06-22 EP disclosed