SCHEMBL30705661

SCHEMBL30705661

COC(=O)c1cc2c([nH]c1=O)CCC(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
SPR P35270 1/20 0.38
RXFP1 Q9HBX9 3/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 3/20 0.36
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
HTT P42858 1/20 0.34
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL30705523 0.85 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10OPRM1
SCHEMBL31376608 0.83 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10OPRM1
SCHEMBL17780994 0.80 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10OPRM1
SCHEMBL18044712 0.80 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10OPRM1
SCHEMBL2746509 0.79 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10OPRM1
SCHEMBL26086700 0.75 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10OPRM1
SCHEMBL30705602 0.74 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10OPRM1
SCHEMBL18044524 0.74 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL30705510 0.73 GRIA1 (0.35) KDM4EALDH1A1HPGDHSD17B10GRIA1
SCHEMBL26088246 0.73 GABRG2 (0.41) KDM4EALDH1A1HPGDHSD17B10SPR

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
EP-4539844-A2 COMPOUNDS FOR TREATMENT OF A CORONAVIRUS INFECTION Trawsfynydd Therapeutics, Inc. (US) 2025-04-23 EP disclosed
CN-119604290-A Compounds for the treatment of coronavirus infections 特劳斯芬尼德治疗股份有限公司 2025-03-11 CN disclosed
WO-2023245166-A2 COMPOUNDS FOR TREATMENT OF A CORONAVIRUS INFECTION TRAWSFYNYDD THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed