SCHEMBL22129264

SCHEMBL22129264

[c]1ccc(C(c2ccccc2)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
TSHR P16473 2/20 0.39
F2 P00734 1/20 0.39
TRPA1 O75762 1/20 0.37
PBRM1 Q86U86 1/20 0.36
HTR2A P28223 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP2D6 P10635 1/20 0.35
SRC P12931 1/20 0.35
LMNA P02545 2/20 0.33
HRH1 P35367 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
GRM7 Q14831 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL10839213 0.83 SLC6A2 (0.50) DPP4TSHRF2TRPA1HTR2A
SCHEMBL3840843 0.83 SLC6A2 (0.50) DPP4TSHRF2TRPA1HTR2A
SCHEMBL448348 0.82 DPP4 (0.53) DPP4TSHRF2HTR2ATAAR1
SCHEMBL8939782 0.79 TYR (0.39) DPP4TSHRF2TAAR1CYP2D6
SCHEMBL2468067 0.79 TYR (0.39) DPP4TSHRF2TAAR1CYP2D6
SCHEMBL8207275 0.79 KDM4E (0.48) TSHRHTR2ACYP2D6LMNA
SCHEMBL8939714 0.79 TYR (0.39) DPP4TSHRF2TAAR1CYP2D6
SCHEMBL318905 0.79 SMN1; SMN2 (0.48) TSHRLMNAMAPK1
SCHEMBL5541969 0.79 DPP4 (0.48) DPP4F2HTR2ATAAR1LMNA
SCHEMBL6852288 0.79 TSHR (0.48) DPP4TSHRF2TRPA1HTR2A

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
WO-2020124645-A1 STABLE DISPERSANT AND APPLICATION THEREOF IN PREPARING COPOLYMER POLYOLS 万华化学集团股份有限公司 2020-06-25 WO claimed