SCHEMBL21392006

SCHEMBL21392006

Cc1ccc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
POLB P06746 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RXRB P28702 5/20 0.32
RXRA P19793 4/20 0.32
RXRG P48443 3/20 0.32
HTR1D P28221 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL13751265 0.86 RXRB (0.47) TSHRALDH1A1GABRA1GABRB2HCRTR2
SCHEMBL13751263 0.86 RXRB (0.47) TSHRALDH1A1GABRA1GABRB2HCRTR2
SCHEMBL13751267 0.86 RXRB (0.47) TSHRALDH1A1GABRA1GABRB2HCRTR2
SCHEMBL16682899 0.85 TSHR (0.71) TSHRALDH1A1HCRTR2MAPTNPC1
SCHEMBL11994079 0.85 TSHR (0.71) TSHRALDH1A1HCRTR2MAPTNPC1
SCHEMBL19996361 0.85 TSHR (0.71) TSHRALDH1A1HCRTR2MAPTNPC1
SCHEMBL13322018 0.85 TSHR (0.71) TSHRALDH1A1HCRTR2MAPTNPC1
SCHEMBL22950016 0.84 TSHR (0.46) TSHRALDH1A1GABRA1GABRB2POLB
SCHEMBL9155671 0.83 ALDH1A1 (0.45) TSHRALDH1A1GABRA1GABRB2MAPT
SCHEMBL2607267 0.83 TSHR (0.50) TSHRALDH1A1GABRA1GABRB2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11094474-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye composition, and oxide semiconductor electrode FUJIFILM CORPORATION (JP) 2021-08-17 US disclosed
US-20190295779-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE COMPOSITION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM CORPORATION (JP) 2019-09-26 US disclosed