SCHEMBL22508787

SCHEMBL22508787

OCC(O)C(O)CCc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOB P27338 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
IDO1 P14902 2/20 0.38
SLC6A4 P31645 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL16314688 0.82 TAAR1 (0.45) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11462575 0.82 TAAR1 (0.45) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL22508738 0.79 PNMT (0.48) TAAR1IGF1RALOX15IDO1
SCHEMBL8399619 0.79 TDP1 (0.50) ALOX15MAOBSLC6A4
SCHEMBL16266018 0.79 TDP1 (0.50) ALOX15MAOBSLC6A4
SCHEMBL11062642 0.79 TAAR1 (0.50) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL16250318 0.76 HTR3E (0.44) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL18704005 0.76 SLC6A4 (0.52) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL22508798 0.76 TRPV3 (0.39) MAOBL3MBTL1
SCHEMBL4070796 0.75 TAAR1 (0.52) TAAR1HTR3EHTR3BHTR3AHTR3D

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-2020206308-A1 SELECTIVE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 PRELUDE THERAPEUTICS, INCORPORATED (US) 2020-10-08 WO disclosed