SCHEMBL8090703

SCHEMBL8090703

CCOC(=O)Cc1cccc2c1CC(n1cc(P(=O)(OCC)OCC)nc1C(=O)OCC)C2=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
P2RX7 Q99572 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7845523 0.91 ALDH1A1 (0.34) GAAALDH1A1P2RX7MAPTHTT
SCHEMBL8020015 0.87 P2RX7 (0.33) GAAALDH1A1P2RX7MAPTHTT
SCHEMBL8013600 0.86 ALDH1A1 (0.36) GAAALDH1A1P2RX7MAPTHTT
SCHEMBL8099222 0.86 GAA (0.38) GAAALDH1A1P2RX7MAPTHTT
SCHEMBL7824847 0.85 ALDH1A1 (0.33) GAAALDH1A1P2RX7MAPTHTT
SCHEMBL8593496 0.83 ALDH1A1 (0.34) GAAALDH1A1P2RX7MAPTHTT
SCHEMBL8012714 0.82 GAA (0.36) GAAALDH1A1P2RX7MAPTHSD17B10
SCHEMBL8015909 0.81 PARP1 (0.36) GAAALDH1A1MAPT
SCHEMBL7835755 0.81 ALDH1A1 (0.36) GAAALDH1A1P2RX7MAPTHTT
SCHEMBL8011799 0.80 CYP1A2 (0.32) GAAALDH1A1MAPT

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