SCHEMBL21154973

SCHEMBL21154973

CC(C)c1cccc([C@H](C)C2CC2)c1OCOP(O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.38
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
SLC6A4 P31645 2/20 0.32
FFAR1 O14842 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
TACR1 P25103 2/20 0.31
SOAT2 O75908 2/20 0.31
SOAT1 P35610 2/20 0.31

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
SCHEMBL21154755 0.83 TSHR (0.36) HTR2CALOX15TSHR
SCHEMBL17598354 0.83 TSHR (0.36) HTR2CALOX15TSHR
SCHEMBL17598339 0.83 TSHR (0.36) HTR2CALOX15TSHR
SCHEMBL28060108 0.83 GLRA1 (0.49) GLRA1HTR2AHTR2CSLC6A4ALOX15
SCHEMBL28060091 0.83 GLRA1 (0.49) GLRA1HTR2AHTR2CSLC6A4ALOX15
SCHEMBL17549514 0.79 GLRA1 (0.39) GLRA1HTR2AHTR2CSLC6A4ALOX15
SCHEMBL17549504 0.74 TYR (0.40) GLRA1SLC6A4SOAT2SOAT1
SCHEMBL17549489 0.74 GLRA1 (0.35) GLRA1HTR2AHTR2CSLC6A4FFAR1
SCHEMBL17598364 0.73 TSHR (0.41) HTR2CALOX15TSHR
SCHEMBL17598341 0.73 TSHR (0.36) TSHR

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
EP-2995604-B1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed