SCHEMBL9568708

SCHEMBL9568708

O=C(Cn1nnnc1-c1occ2ccccc12)OCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 1/20 0.34
HSD17B10 Q99714 2/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 2/20 0.33
CTNNB1 P35222 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
POLB P06746 2/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL9690103 0.85 ALDH1A1 (0.43) MAPK1CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL9568847 0.83 ALDH1A1 (0.48) L3MBTL1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL9568925 0.78 ALDH1A1 (0.54) MAPK1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL9568758 0.76 ALDH1A1 (0.41) MAPK1L3MBTL1ALDH1A1HPGDMAPT
SCHEMBL9568705 0.76 KDM4E (0.41) MAPK1CYP3A4ALDH1A1HPGDMAPT
SCHEMBL9568731 0.74 MAPK1 (0.41) MAPK1L3MBTL1ALDH1A1HPGDMAPT
SCHEMBL9568841 0.71 KMT2A (0.51) MAPK1L3MBTL1CYP3A4ALDH1A1HPGD
SCHEMBL9568853 0.71 ALDH1A1 (0.65) MAPK1L3MBTL1ALDH1A1HPGDMAPT
SCHEMBL9557277 0.69 MAPK1 (0.41) MAPK1L3MBTL1ALDH1A1HPGDMAPT
SCHEMBL9568725 0.68 POLB (0.40) MAPK1L3MBTL1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262433-A Antidiabetic agents WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0528277-A1 Tetrazoleacetic acid derivatives aldose reductase inhibitors Wakamoto Pharmaceutical Co., Ltd. (JP) 1993-02-24 EP disclosed