SCHEMBL8090457

SCHEMBL8090457

CCOC(=O)Cc1cccc2c1CC(n1ccnc1C(=O)O)C2=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.37
ALDH1A1 P00352 5/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CCKAR P32238 1/20 0.32
CCKBR P32239 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
LMNA P02545 1/20 0.32
NPEPPS P55786 1/20 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
SCHEMBL7835755 0.84 ALDH1A1 (0.36) ALDH1A1GAAMAPTHTTHSD17B10
SCHEMBL7819659 0.84 ALDH1A1 (0.36) ALDH1A1GAAMAPTHTTHSD17B10
SCHEMBL8556799 0.81 ACHE (0.45)
SCHEMBL7820040 0.81 RORC (0.31)
SCHEMBL8012794 0.80 ELANE (0.34) ALDH1A1GAAMAPTSMN1; SMN2ADORA3
SCHEMBL8817138 0.79 GRM5 (0.40) ALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL8881566 0.79 ACHE (0.40) ALDH1A1MAPTHTTHSD17B10SMN1; SMN2
SCHEMBL7834401 0.79 TBXAS1 (0.36) TBXAS1ALDH1A1GAAMAPTHSD17B10
SCHEMBL7820283 0.79 ALDH1A1 (0.35) ALDH1A1GAAMAPTHSD17B10ALOX15
SCHEMBL8883880 0.78 RAB9A (0.39) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2

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-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed
US-5902803-A 5H,10H-imidazo 1,2-a!indeno 1,2-e!pyrazin-4-one derivatives, preparation thereof, and drugs containing said derivatives RHONE-POULENC RORER S.A. (FR) 1999-05-11 US disclosed