SCHEMBL28032777

SCHEMBL28032777

CCCCCCCCCC(C)C(=O)Br

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
FDPS P14324 4/20 0.54
ACE2 Q9BYF1 1/20 0.53
LCK P06239 1/20 0.52
PPARD Q03181 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 1/20 0.48
GPR84 Q9NQS5 6/20 0.48
ZDHHC7 Q9NXF8 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL27935252 0.98 CA1 (0.61) CA1FDPSACE2LCKPPARD
SCHEMBL6113198 0.91
SCHEMBL3222542 0.81 CA1 (0.71) CA1FDPSACE2LCKPPARD
SCHEMBL1321582 0.81 CA1 (0.71) CA1FDPSACE2LCKPPARD
SCHEMBL3227086 0.81 CA1 (0.71) CA1FDPSACE2LCKPPARD
SCHEMBL3218364 0.81 CA1 (0.71) CA1FDPSACE2LCKPPARD
SCHEMBL3231557 0.81 CA1 (0.71) CA1FDPSACE2LCKPPARD
SCHEMBL3211014 0.81 CA1 (0.71) CA1FDPSACE2LCKPPARD
SCHEMBL4350645 0.81 CA1 (0.71) CA1FDPSACE2LCKPPARD
SCHEMBL2710871 0.81 CA1 (0.71) CA1FDPSACE2LCKPPARD

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
CN-106946912-A A kind of furans photovoltaic material of naphtho- two and its preparation method and application 湖南文理学院 2017-07-14 CN claimed
CN-106946912-A A kind of furans photovoltaic material of naphtho- two and its preparation method and application 湖南文理学院 2017-07-14 CN disclosed
CN-102964570-B A kind of naphtho-two furfuran compound and polymkeric substance and preparation method and application CENTRAL SOUTH UNIVERSITY (CN) 2015-08-19 CN disclosed