SCHEMBL24650472

SCHEMBL24650472

NC1Cc2ccccc2C1OCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.38
CD69 Q07108 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
ALOX15 P16050 2/20 0.36
KDM1A O60341 4/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL24650462 0.85 PYGL (0.46) PYGLSIGMAR1ALOX15KDM1AGAA
SCHEMBL24650474 0.84 PYGL (0.38) PYGLMTNR1AMTNR1B
SCHEMBL24650470 0.83 SLC6A3 (0.41) PYGLMAPTMTNR1AMTNR1BMEN1
SCHEMBL24650509 0.82 OPRK1 (0.36) PYGLALOX15TSHR
SCHEMBL24650478 0.82 POLB (0.39) GAAMAPTCYP1A2TSHRMAPK1
SCHEMBL24650535 0.81 PYGL (0.36) PYGLCD69MAPT
SCHEMBL24650508 0.79 CD69 (0.40) PYGLCD69ALOX15KMT2A
SCHEMBL24650503 0.78 LMNA (0.43) PTGDR2MTNR1B
SCHEMBL24650539 0.78 PTGDR2 (0.45) PTGDR2MTNR1AMTNR1B
SCHEMBL3329201 0.78 PTGIR (0.40) PTGDR2CD69SIGMAR1ALOX15KDM1A

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