SCHEMBL30957744

SCHEMBL30957744

CC(C)(C)OC(=O)Oc1ccc2c(c1)C(=O)CCC2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.48
MAOB P27338 8/20 0.48
ELANE P08246 1/20 0.47
BAZ2B Q9UIF8 1/20 0.41
BRD4 O60885 1/20 0.40
KDM1A O60341 1/20 0.39
CA2 P00918 1/20 0.39
CYP2A6 P11509 1/20 0.38
PRKCI P41743 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
GPR119 Q8TDV5 2/20 0.37
PBRM1 Q86U86 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 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
SCHEMBL29243215 0.87 MAOA (0.55) MAOAMAOBBAZ2BBRD4CYP2A6
SCHEMBL8318501 0.81 MAOA (0.53) MAOAMAOBBAZ2BBRD4CA2
SCHEMBL19132364 0.81 MAOA (0.50) MAOAMAOBELANEBRD4CYP2A6
SCHEMBL9688850 0.80 MAOA (0.47) MAOAMAOBBAZ2BBRD4CYP2A6
SCHEMBL9688253 0.80 MAOA (0.57) MAOAMAOBBAZ2BBRD4CYP2A6
SCHEMBL9587300 0.78 SRD5A1 (0.46) MAOAMAOBBAZ2BCA2CYP2A6
SCHEMBL10631228 0.77 MAOA (0.55) MAOAMAOBBAZ2BBRD4CYP2A6
SCHEMBL7235169 0.75 BAZ2B (0.52) BAZ2BGPR119KDM4EMAPT
SCHEMBL29726357 0.75 MAOB (0.58) MAOAMAOBCYP2A6HRH3KDM4E
SCHEMBL120284 0.75 MAOB (0.58) MAOAMAOBCYP2A6HRH3KDM4E

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
CN-118255703-A Preparation method of estrogen receptor degradation agent 南京医科大学 2024-06-28 CN disclosed