SCHEMBL28034772

SCHEMBL28034772

COc1ccc(CCC=O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A4 P31645 5/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 3/20 0.41
KCNH2 Q12809 2/20 0.41
APLNR P35414 1/20 0.41
POLB P06746 1/20 0.40
IDO1 P14902 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
ERN1 O75460 1/20 0.38
TRIM24 O15164 1/20 0.38
TYR P14679 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL480070 0.83 SLC6A4 (0.43) MEN1KMT2ASLC6A4HTR1AHTR2A
SCHEMBL473994 0.82 SLC6A4 (0.45) MEN1KMT2ASLC6A4HTR1AHTR2A
SCHEMBL14793744 0.81 L3MBTL1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL3312341 0.81 KMT2A (0.45) MEN1KMT2AAPLNRPOLBIDO1
SCHEMBL584252 0.81 APLNR (0.59) MEN1KMT2AHTR2AAPLNRIDO1
SCHEMBL910548 0.80 POLB (0.62) POLBALDH1A1ERN1TRIM24TYR
SCHEMBL9921242 0.79 SLC6A4 (0.45) MEN1KMT2ASLC6A4HTR1AHTR2A
SCHEMBL16670512 0.78 BACE1 (0.45) MEN1KMT2APOLBALDH1A1
SCHEMBL8340513 0.78 SLC6A4 (0.47) SLC6A4HTR1AHTR2AKCNH2APLNR
SCHEMBL22078669 0.78 CA12 (0.41) MEN1KMT2ASLC6A4HTR1AIDO1

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-102548976-B (thio) morpholine derivatives as S1P modulators ABBVIE BAHAMAS LTD. (BS) 2015-09-09 CN disclosed