SCHEMBL22823915

SCHEMBL22823915

O=C(c1cc(Br)ccc1O)C1CCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
CES2 O00748 1/20 0.56
GALR3 O60755 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
CASP1 P29466 1/20 0.56
CYP2C19 P33261 1/20 0.56
GSTA1 P08263 1/20 0.49
GAA P10253 4/20 0.47
MAPT P10636 4/20 0.42
ERN1 O75460 1/20 0.42
HTT P42858 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
AR P10275 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL1260625 0.83 CES2 (0.43) HPGDCES2GALR3CYP1A2CYP2C9
SCHEMBL873620 0.81 ALDH1A1 (0.42) HPGDGAAMAPTALDH1A1KMT2A
SCHEMBL1340593 0.78 KDM4E (0.56) HPGDCES2GALR3CYP1A2CYP2C9
SCHEMBL4122910 0.77 CA12 (0.50) MAPTALDH1A1NPSR1KMT2AMAOA
SCHEMBL1857398 0.77 KDM4E (0.54) MAPTHTTKDM4EKMT2AMEN1
SCHEMBL9823872 0.75 ALDH1A1 (0.53) HPGDCYP1A2CYP2C9ALOX15GAA
SCHEMBL1259126 0.75 POLB (0.38) KMT2AMEN1POLB
SCHEMBL17997263 0.75 DGAT1 (0.54) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL4115726 0.74 CA12 (0.55) CES2GAAALDH1A1NPSR1
SCHEMBL29922210 0.74 KDM4E (0.50) KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008012-B Compounds for the treatment of neuromuscular disorders NMD制药股份公司 2025-02-25 CN disclosed
CN-114008012-A Compounds for the treatment of neuromuscular disorders NMD制药股份公司 2022-02-01 CN disclosed
WO-2020254559-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2020-12-24 WO disclosed