SCHEMBL8666950

SCHEMBL8666950

c1ccc(C2(c3ccccc3)CCCCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
AKR1C1 Q04828 1/20 0.41
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP2B6 P20813 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
PRCP P42785 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GRIN1 Q05586 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC4 P56524 1/20 0.36

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
SCHEMBL7003423 0.98 SLC6A2 (0.41) DPP4AKR1C1GRIN2DGRIN3BCYP2B6
SCHEMBL1569110 0.93 DPP4 (0.38) DPP4AKR1C1OPRM1
SCHEMBL22348784 0.89 HDAC6 (0.42) SLC6A4SLC6A3OPRM1
SCHEMBL1256629 0.89 ESR2 (0.46) DPP4AKR1C1SMN1; SMN2HDAC4
SCHEMBL12893261 0.88 ESR2 (0.47) AKR1C1SMN1; SMN2HDAC4
SCHEMBL2360103 0.86 OPRM1 (0.41) DPP4AKR1C1OPRM1
Trimethylammonium SCHEMBL14720309 0.86 OPRL1 (0.45) SLC6A2SLC6A4SLC6A3SIGMAR1OPRM1
SCHEMBL1692027 0.83 SLC6A3 (0.48) DPP4SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL1256618 0.80 ELANE (0.46) AKR1C1SLC6A2SLC6A3
SCHEMBL3203548 0.76 HDAC4 (0.37) AKR1C1GRIN2DGRIN3BSLC6A4GRIN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388345-B2 Hydrocarbon synthesis methods, apparatus, and systems SARTEC CORPORATION (US) 2016-07-12 US disclosed
US-20140046104-A1 HYDROCARBON SYNTHESIS METHODS, APPARATUS, AND SYSTEMS SARTEC CORPORATION 2014-02-13 US disclosed
WO-2014008355-A1 HYDROCARBON SYNTHESIS METHODS, APPARATUS, AND SYSTEMS MCNEFF CLAYTON V (US) 2014-01-09 WO disclosed
US-5830835-A FABRIC SOFTENER, PERFUME ESTER MIXTURES PROCTER & GAMBLE COMPANY (US) 1998-11-03 US disclosed