SCHEMBL25523474

SCHEMBL25523474

CC(C)c1c(O)cc(-c2ccc(F)c3cccc(O)c23)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.36
▸ HTR1B P28222 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ GPR65 Q8IYL9 1/20 0.35
▸ HSD17B1 P14061 4/20 0.34
▸ HSD17B2 P37059 4/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ APP P05067 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ IMPDH2 P12268 1/20 0.32
▸ IMPDH1 P20839 1/20 0.32
▸ F2RL1 P55085 1/20 0.32

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
SCHEMBL25520071 0.71 ENPP1 (0.34) AHRHTR1BHTR2BGPR65HSD17B1
SCHEMBL25521412 0.71 PIK3CD (0.42) RPS6KA3KDM4EMPIL3MBTL1
SCHEMBL25523473 0.69 PDE4B (0.34) HTR1BHTR2BGPR65ALOX5APFEN1
SCHEMBL25523415 0.69 ERN1 (0.42) MAPTALOX15CASP1HSD17B10AKR1C3
SCHEMBL25523417 0.68 KDM4E (0.42) MAPTTDP1THRBRECQLRPS6KA3
SCHEMBL31555995 0.68 FTO (0.46) MAPTHPGDALOX15RECQLHSD17B10
SCHEMBL25523412 0.68 AHR (0.35) AHRHSD17B1HSD17B2AKR1C3AKR1C2
SCHEMBL25521555 0.66 ERN1 (0.50) MAPTALOX15CASP1HSD17B10KDM4E
SCHEMBL725385 0.66 GABRA1 (0.52) AHRHTR2BMAPTHPGDALOX15
SCHEMBL12123835 0.65 GABRA1 (0.43) AHRHTR2BMAPTHPGDALOX15

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-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
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