SCHEMBL8091023

SCHEMBL8091023

CCOC(=O)CCc1ccc2c(c1)CC(Br)C2=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
CYP4Z1 Q86W10 1/20 0.40
PTPN1 P18031 1/20 0.39
BRD4 O60885 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL7845195 0.88 MAPT (0.44) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL8050715 0.77 KMT2A (0.64) CYP4F2CYP4A11ALDH1A1GAAKDM4E
SCHEMBL8099995 0.77 ALDH1A1 (0.54) CYP4F2CYP4A11ALDH1A1GAAHSD17B10
SCHEMBL3542730 0.74 CYP4F2 (0.52) CYP4F2CYP4A11PDE3BPDE3AP2RY12
SCHEMBL7845284 0.74 PARP1 (0.40)
SCHEMBL7846571 0.74 PDE3B (0.38) CYP4F2CYP4A11ALDH1A1GAAKDM4E
SCHEMBL10907923 0.74 NPC1 (0.48) ALDH1A1GAAKDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL4784560 0.73 CYP4F2 (0.51) CYP4F2CYP4A11PDE3BPDE3AP2RY12
SCHEMBL7844888 0.72 JAK1 (0.36) ALDH1A1MAPTHPGDBRD4
SCHEMBL13008740 0.72 CYP4F2 (0.50) CYP4F2CYP4A11PDE3BPDE3AP2RY12

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