SCHEMBL30765666

SCHEMBL30765666

CC(C)(C)OC(=O)Cn1c(-c2ccccc2)ncc(C(=O)O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ELANE P08246 8/20 0.40
LDHA P00338 1/20 0.39
CMA1 P23946 1/20 0.39
CTRC Q99895 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.37
AVPR1B P47901 1/20 0.36

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
SCHEMBL31558583 0.89 KDM4E (0.51) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6087779 0.86 CTRC (0.52) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30765660 0.86 KDM4E (0.51) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30765953 0.83 ALDH1A1 (0.42) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7476393 0.82 ALDH1A1 (0.47) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6245424 0.80 ELANE (0.49) KDM4EALDH1A1ELANEMAPT
SCHEMBL11768659 0.79 KDM4E (0.50) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23460649 0.79 ELANE (0.47) KDM4EALDH1A1ELANECMA1CTRC
SCHEMBL6178282 0.79 ELANE (0.51) KDM4EALDH1A1ELANE
SCHEMBL6242996 0.78 NPC1 (0.49) KDM4EALDH1A1CYP2C19ELANEMAPT

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-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
CN-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 CN disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed