SCHEMBL28709983

SCHEMBL28709983

CC(C)(COC(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)C(S)S

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPT P10636 7/20 0.46
▸ GAA P10253 3/20 0.46
▸ POLB P06746 2/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAOB P27338 1/20 0.41

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
SCHEMBL3037119 0.81 HTR2A (0.68) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL30880314 0.81 HTR2A (0.56) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL29593238 0.79 HTR2A (0.63) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL25189373 0.79 HTR2A (0.65) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL7519622 0.78 ATM (0.54) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL14599732 0.78 HTR2A (0.70) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL19432446 0.78 HTR2A (0.67) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL18975354 0.78 HTR2A (0.67) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL18976031 0.77 HTR2A (0.58) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL5827968 0.77 HTR2A (0.80) HTR2AALDH1A1MAPK1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114272389-B Eribulin-based antibody-drug conjugates and methods of use 卫材研究发展管理有限公司 2023-04-18 — — CN disclosed
CN-108883198-B Eribulin-based antibody-drug conjugates and methods of use 卫材研究发展管理有限公司 2022-08-09 — — CN disclosed
CN-114272389-A Eribulin-based antibody-drug conjugates and methods of use 卫材研究发展管理有限公司 2022-04-05 — — CN disclosed
CN-114191428-A Eribulin-based antibody-drug conjugates and methods of use 卫材研究发展管理有限公司 2022-03-18 — — CN disclosed
CN-114191563-A Eribulin-based antibody-drug conjugates and methods of use 卫材研究发展管理有限公司 2022-03-18 — — CN disclosed
Send feedback