SCHEMBL2387572

SCHEMBL2387572

SC=CC(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
SRC P12931 1/20 0.33
HRH1 P35367 1/20 0.32

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
SCHEMBL8522965 0.83 DPP4 (0.45) DPP4F2TSHRHTR2ATAAR1
SCHEMBL3797767 0.74 SRC (0.39) DPP4F2TSHRCYP1A2CYP2D6
SCHEMBL3928088 0.74 DPP4 (0.43) DPP4F2TSHRHTR2ATAAR1
SCHEMBL2524123 0.74 DPP4 (0.38) DPP4F2TSHRHTR2ATAAR1
SCHEMBL2094186 0.74 CYP2D6 (0.39) DPP4F2TSHRCYP1A2CYP2D6
SCHEMBL2094185 0.74 CYP2D6 (0.39) DPP4F2TSHRCYP1A2CYP2D6
SCHEMBL3928091 0.74 DPP4 (0.43) DPP4F2TSHRHTR2ATAAR1
SCHEMBL8613849 0.74 MEN1 (0.39) DPP4F2TSHRHTR2ATAAR1
SCHEMBL692130 0.74 MEN1 (0.39) DPP4F2TSHRHTR2ATAAR1
SCHEMBL11878598 0.72 CYP1A2 (0.55) CYP19A1CYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8021540-B2 Method of desulfurizing hydrocarbon oil JAPAN ENERGY CORPORATION (JP) 2011-09-20 US disclosed
US-20090000990-A1 Method of Desulfurizing Hydrocarbon Oil JAPAN ENERGY CORPORATION (JP) 2009-01-01 US disclosed
EP-1715025-A1 METHOD OF DESULFURIZING HYDROCARBON OIL JAPAN ENERGY CORPORATION (JP) 2006-10-25 EP disclosed