SCHEMBL28907902

SCHEMBL28907902

CCCC(O)CCC(O)CCBr

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.35
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
FFAR1 O14842 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NFKB1 P19838 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL764399 0.97
SCHEMBL1328891 0.85 FDPS (0.43) FDPSLMNATSHRFFAR4FFAR1
SCHEMBL29232764 0.85 FDPS (0.43) FDPSLMNATSHRFFAR4FFAR1
SCHEMBL30575792 0.85 FDPS (0.43) FDPSLMNATSHRFFAR4FFAR1
SCHEMBL28568549 0.85 FDPS (0.43) FDPSLMNATSHRFFAR4FFAR1
SCHEMBL15855762 0.85 FDPS (0.43) FDPSLMNATSHRFFAR4FFAR1
SCHEMBL22249 0.82
SCHEMBL7138282 0.82
SCHEMBL11655532 0.81
SCHEMBL2243712 0.79 FFAR1 (0.52) FDPSFFAR4FFAR1NFKB1

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
CN-115466162-A Process for preparing (cis ) -3,6, 9-nonadecatriene 虫捕头(苏州)生物科技有限公司 2022-12-13 CN disclosed