SCHEMBL9755655

SCHEMBL9755655

CCCCCC[C@H](F)C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ADH1B P00325 2/20 0.48
ADH1C P00326 2/20 0.48
ADH1A P07327 2/20 0.48
ADH4 P08319 2/20 0.48
ADH7 P40394 2/20 0.48
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPA1 O75762 1/20 0.42
DDAH1 O94760 1/20 0.42
GAPDH P04406 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
FDPS P14324 3/20 0.41
FFAR1 O14842 1/20 0.41
CES2 O00748 1/20 0.41
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.40
DNM1 Q05193 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL9755658 1.00 MAPT (0.50) MAPTADH1BADH1CADH1AADH4
SCHEMBL31243205 1.00 MAPT (0.50) MAPTADH1BADH1CADH1AADH4
SCHEMBL1667132 1.00 MAPT (0.50) MAPTADH1BADH1CADH1AADH4
SCHEMBL11441526 0.97
SCHEMBL1721781 0.90
Water SCHEMBL11287610 0.87
SCHEMBL1031234 0.81
SCHEMBL1030119 0.81
SCHEMBL11858917 0.80 MAPT (0.45) MAPTADH1BADH1CADH1AADH4
SCHEMBL2319980 0.80 MAPT (0.45) MAPTADH1BADH1CADH1AADH4

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
JP-3197438-A None JP disclosed
JP-H03197438-A OPTICALLY ACTIVE 1-METHYL-2-FLUOROALKYL DERIVATIVE AND LIQUID CRYSTAL COMPOSITION KANTO CHEM CO INC 1991-08-28 JP disclosed