SCHEMBL8099207

SCHEMBL8099207

CCOC(=O)CCc1ccc2c(c1)CC(n1cc(C(=O)OCC)nc1C(=O)OCC)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 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
SCHEMBL7846571 0.90 PDE3B (0.38) PDE3BPDE3AP2RY12CYP4F2CYP4A11
SCHEMBL8098019 0.85 KDM4E (0.34) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL8104380 0.84 MAPK1 (0.34) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL8646311 0.84 GABRA2 (0.42) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL8090133 0.83 KDM4E (0.33) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL8649980 0.81 GABRA2 (0.45) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL8642931 0.79 GABRA2 (0.44) KDM4EMAPTGABRA2GABRB2DPP4
SCHEMBL8316162 0.76 MAPT (0.41) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8650346 0.76 MAPT (0.39) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL8091069 0.75 TBXAS1 (0.36) KDM4EKMT2AMEN1ALDH1A1GAA

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