SCHEMBL24650248

SCHEMBL24650248

NC1Cc2cc(O)cc(OCCCC(=O)O)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.41
TSHR P16473 2/20 0.40
RAB9A P51151 1/20 0.40
ALB P02768 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FYN P06241 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
OPRK1 P41145 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
S1PR5 Q9H228 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL24651147 0.93 PTGDR2 (0.40) PTGDR2TSHRRAB9AALBHSD17B10
SCHEMBL24650809 0.86 MAPT (0.46) TSHRMEN1KMT2ACNR1CNR2
SCHEMBL24650838 0.84 PDE4A (0.42) MEN1KMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL24650259 0.83 FFAR1 (0.41) PTGDR2TSHRFFAR4DRD2DRD3
SCHEMBL24650746 0.83 ALB (0.40) TSHRALBFFAR4FYNCNR1
SCHEMBL24650258 0.82 FFAR4 (0.40) PTGDR2TSHRFFAR4MEN1ALOX15
SCHEMBL24651145 0.82 MAPT (0.39) MEN1KMT2AFYNDRD2DRD3
SCHEMBL24650753 0.81 FYN (0.47) PTGDR2TSHRRAB9AFFAR4MEN1
SCHEMBL24650751 0.80 PTGDR2 (0.40) PTGDR2TSHRRAB9AFFAR4S1PR5
SCHEMBL24651078 0.80 F13A1 (0.37) MEN1KMT2AFYNDRD2DRD3

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
WO-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed