SCHEMBL9026901

SCHEMBL9026901

CCOC(=O)c1[nH]c(=O)c(CC(C)C)[n+]([O-])c1O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 5/20 0.41
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL9026413 0.86 LMNA (0.40) ALDH1A1HPGDGAALMNACYP1A2
SCHEMBL9026198 0.85 LMNA (0.39) ALDH1A1HPGDGAALMNACYP1A2
SCHEMBL9162313 0.78 ALDH1A1 (0.50) ALDH1A1HPGDGAALMNAKDM4E
SCHEMBL9164491 0.75 ALDH1A1 (0.34) ALDH1A1GAALMNAKDM4ESMN1; SMN2
SCHEMBL9163165 0.71 ALDH1A1 (0.48) ALDH1A1HPGDGAALMNACYP1A2
SCHEMBL11648747 0.64 CYP1A2 (0.62) ALDH1A1HPGDLMNACYP1A2CYP2C19
SCHEMBL11644263 0.64 CYP1A2 (0.62) ALDH1A1HPGDLMNACYP1A2CYP2C19
SCHEMBL9310221 0.64 ALDH1A1 (0.43) ALDH1A1HPGDGAALMNACYP1A2
SCHEMBL9166031 0.64 ALDH1A1 (0.45) ALDH1A1HPGDGAALMNAKDM4E
SCHEMBL3152177 0.63 ALDH1A1 (0.47) ALDH1A1HPGDGAALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed