SCHEMBL22245282

SCHEMBL22245282

CCO[Si](OCC)(OCC)C(F)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.39
SIGMAR1 Q99720 4/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
MAOA P21397 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP1A2 P05177 1/20 0.38
TRPA1 O75762 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
EPHX1 P07099 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL2181964 0.81 TAAR1 (0.47) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL28065353 0.79 SIGMAR1 (0.45) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL27908527 0.79 CYP1A2 (0.48) CYP1A2PPARGPPARAMMP8SRR
SCHEMBL1765853 0.78 TRPA1 (0.46) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1972957 0.76 TAAR1 (0.38) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL27791298 0.75 TAAR1 (0.37) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL2520766 0.75 ANPEP (0.43) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL2526801 0.75 TAAR1 (0.37) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL27689306 0.74 PPARG (0.39) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL2803631 0.74 TAAR1 (0.36) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3

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-10727410-B2 Surface modifier for transparent oxide electrode, surface-modified transparent oxide electrode, and method for producing surface-modified transparent oxide electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-28 US claimed